Inhalt

2024

2024, 03. Nov - 06. Nov
18th German Conference on Cheminformatics (GCC), Bad Soden
04.11.2024, 11:12talk: Galileo and the Quest for 3D Searching the Chemical Space
04.11.2024, 11:24talk: Next Generation Topological Similarity Searching in Combinatorial Fragment Spaces
weitere Teilnehmer: Justin Lübbers, Christian Meyenburg, Jonathan Pletzer-Zelgert, Matthias Rarey
2024, 22. Sep - 26. Sep
24th EuroQSAR, Barcelona/Spain
24.09.2024, 17:50poster: StrAcTable - The Structure Activity Table
24.09.2024, 17:50poster: Explainability in AI-Driven Early-Phase Drug Discovery with Network Balance Scaling
weitere Teilnehmer: Torben Gutermuth, Malte Holmer, Matthias Rarey
2024, 24. Jun - 28. Jun
Strasbourg Summer School in Cheminformatics, Strasbourg, France
weitere Teilnehmer: Tobias Harren, Matthias Rarey
2024, 28. May - 30. May
Norwegian Bioinformatics Day 2024, Bergen/Norway
29.05.2024, 09:00talk: Navigating Protein Interactions – From Binding Sites to Protein-Ligand and Protein-Protein Interfaces
weitere Teilnehmer: Matthias Rarey
2024, 04. Mar - 06. Mar
36th Molecular Modeling Workshop 2024, Erlangen
weitere Teilnehmer: Christiane Ehrt

2023

2023, 27. Dec - 30. Dec
37th Chaos Communication Congress, Hamburg, Germany
weitere Teilnehmer: Ole Berg, Malte Korn, Christian Meyenburg
2023, 09. Oct - 10. Oct
Digital Total, Hamburg, Germany
09.10.2023, 09:45poster: Exploring Ultra-Large Chemical Spaces With Genetic Algorithms
weitere Teilnehmer: Christian Meyenburg, Matthias Rarey
2023, 20. Sep - 22. Sep
12th RDKit UGM 2023, Mainz
20.09.2023, 12:00talk: SmartChemist - Communication about chemical structures made easy
weitere Teilnehmer: Torben Gutermuth, Christian Meyenburg
2023, 10. Sep - 15. Sep
EUROPIN Summer School on Drug Design, Wien/Österreich
weitere Teilnehmer: Matthias Rarey
2023, 21. Aug - 25. Aug
CIC Summer School on Cheminformatics, Halle
weitere Teilnehmer: Christiane Ehrt, Jonathan Pletzer-Zelgert, Matthias Rarey
2023, 16. Jul - 21. Jul
Gordon Research Conference CADD, West Dover, VT, United States
17.07.2023, 14:00poster: An automated docking benchmark using homogeneous experimental conditions and unique structurally resolved pockets
17.07.2023, 14:00poster: LifeSoaks: A Tool for Analysing Solvent Channels in Protein Crystals
weitere Teilnehmer: Torben Gutermuth, Jonathan Pletzer-Zelgert, Matthias Rarey
2023, 19. Jun - 21. Jun
Ninth Joint Sheffield Conference on Chemoinformatics, Sheffield/UK
weitere Teilnehmer: Uschi Dolfus, Justin Lübbers, Matthias Rarey
2023, 15. May - 16. May
HDDC 2023, Braunschweig
weitere Teilnehmer: Matthias Rarey
2023, 03. Apr - 05. Apr
Frontiers in Medicinal Chemistry , Wien/Austria
03.04.2023, 17:15poster: On-The-Fly Small Molecule Docking with JAMDA on ProteinsPlus
weitere Teilnehmer: Christiane Ehrt

2022

2022, 12. Oct - 14. Oct
RDKit UGM 2022, Berlin, Germany
weitere Teilnehmer: Christian Meyenburg
2022, 26. Sep - 30. Sep
23rd EuroQSAR, Heidelberg, Germany
27.09.2022, 11:10talk: Cheminformatics for Next Generation Make-on-Demand Compound Catalogs
weitere Teilnehmer: Matthias Rarey
2022, 30. Aug - 31. Aug
1st Nordic Conference on Computational Chemistry 2022, Gothenburg/Sweden
weitere Teilnehmer: Konrad Diedrich, Christiane Ehrt
2022, 29. Jun - 01. Jul
IBMI Kick-Off Symposium, Tübingen, Germany
01.07.2022, 09:40talk: Good algorithms might help: Practical examples from early drug discovery
weitere Teilnehmer: Matthias Rarey
2022, 27. Jun - 01. Jul
Strasbourg Summer School in Chemoinformatics - 2022, Strasbourg, France
28.06.2022, 14:00talk: Chemoinformatics operating in Chemical Space
weitere Teilnehmer: Matthias Rarey
2022, 12. Jun - 16. Jun
12th International Conference on Chemical Structures, Noordwijkerhout, The Netherlands
13.06.2022, 09:00talk: GeoMine: On-The-Fly Geometric Pattern Mining in Binding Sites
13.06.2022, 11:00talk: Improving Torsion Library Patterns with SMARTScompare
13.06.2022, 11:00poster: Structural Investigations of Protein Kinases with GeoMine
weitere Teilnehmer: Christiane Ehrt, Joel Graef, Patrick Penner, Matthias Rarey
2022, 12. May
HIPS Symposium 2022, virtual meeting
12.05.2022, 12:30talk: Computational Exploration of Chemical Space
weitere Teilnehmer: Matthias Rarey
2022, 08. May - 11. May
17th German Conference on Cheminformatics and EuroSAMPL Satellite Workshop, Garmisch-Partenkirchen, Germany
09.05.2022, 17:30poster: Towards the fully automated cross-linking of PDB and ChEMBL
09.05.2022, 11:24talk: LifeSoaks: Predicting solvent channels in protein crystals for soaking experiments
09.05.2022, 13:45talk: Synthesis-Aware Generation of Structural Analogs
weitere Teilnehmer: Uschi Dolfus, Emanuel Ehmki, Sophia Hönig, Jonathan Pletzer-Zelgert, Matthias Rarey
2022, 05. May - 06. May
Leibniz Wirkstofftage 2022, Hamburg, Germany
06.05.2022, 09:30talk: Decoupling Organic Synthesis from Early-Stage Drug Discovery: Cheminformatics for Ultralarge Make-on-Demand Compound Catalogs
weitere Teilnehmer: Matthias Rarey
2022, 26. Apr - 28. Apr
CDCS Symposium 2022, Hamburg, Germany
26.04.2022, 18:00poster: Phase Retrieval from Crystals with Rotational Displacement
26.04.2022, 18:00poster: On-The-Fly Structure-Based Design on the Web
26.04.2022, 14:30talk: Combinatorial algorithms operating in chemical space
26.04.2022, 18:00poster: MicroMiner: Mining Mutations & more from PDB/AlphaFoldDB using Residue 3D Micro-Environments
26.04.2022, 18:00poster: Metadata-based analysis of image quality for single particle cryoEM
weitere Teilnehmer: Anna Cavasin, Christiane Ehrt, Michael Größler, Matthias Rarey, Jochen Sieg
2022, 20. Mar - 24. Mar
ACS Spring 2022, virtual Meeting
20.03.2022, 17:20talk: Computational approaches for the analysis of ultra-large make-on-demand compound catalogs
weitere Teilnehmer: Louis Bellmann

2021

2021, 20. Sep - 23. Sep
ECCE/ECAB 2021, virtual event
23.09.2021, 11:25talk: Computational Analysis of Protein Structures from Deep-Sea Organisms
weitere Teilnehmer: Jochen Sieg
2021, 22. Aug - 26. Aug
ACS Meeting, Atlanta/USA and virtual
25.08.2021, 10:50talk: SpaceMACS: The Quest for Searching Maximum Common Substructures in Chemical Space
weitere Teilnehmer: Robert Schmidt
2021, 25. Jul - 30. Jul
ISMB/ECCB 2021
26.07.2021, 13:40talk: Data-Driven Analysis of Single Point Mutations through Rapid Scan of 3D Micro-Environments
weitere Teilnehmer: Jochen Sieg
2021, 29. Mar - 01. Apr
23. JCF-Frühjahrssymposium
weitere Teilnehmer: Christian Meyenburg
2021, 21. Jan
SpaceLight: Fingerprint Searches to Explore Ultra-Large Spaces
weitere Teilnehmer: Louis Bellmann

2020

2020, 15. Dec
BioSolveIT Webinar
15.12.2020, 16:00talk: Superfast Next Generation Fragment Growing in Pockets
weitere Teilnehmer: Patrick Penner
2020, 01. Dec - 03. Dec
NIH Virtual Workshop on Ultra-Large Chemistry Databases, Dec 1-3, 2020
02.12.2020, 12:30talk: Combinatorial Approaches for SearchingSynthetically Accessible Chemical Space
weitere Teilnehmer: Matthias Rarey
2020, 19. Nov
CSSB Seminar Series - Matthias Rarey
19.11.2020, 11:30talk: Next Generation Computational Tools For Structure- and Ligand-Based Molecular Design
weitere Teilnehmer: Matthias Rarey
2020, 02. Nov - 04. Nov
German Conference on Cheminformatics (GCC) 2020
02.11.2020, 15:00talk: FGVD: Public Structure Data for Fragment Growing Validation
02.11.2020, 15:00talk: SpaceLight: Topological Similarity Searching in Large Combinatorial Fragment Spaces
weitere Teilnehmer: Christian Meyenburg, Patrick Penner, Matthias Rarey
2020, 06. Oct - 08. Oct
RDKit UGM
weitere Teilnehmer: Christian Meyenburg
2020, 14. Sep - 17. Sep
German Conference on Bioinformatics (GCB) 2020
weitere Teilnehmer: Matthias Rarey, Katrin Schöning-Stierand
2020, 13. Jul - 16. Jul
28th Conference on Intelligent Systems for Molecular Biology (ISMB)
14.07.2020, 15:00talk: GeoMine: A Web-Based Tool for Chemical Three-Dimensional Searching of the PDB
14.07.2020, 17:00poster: GeoMine: A Web-Based Tool for Chemical Three-Dimensional Searching of the PDB
weitere Teilnehmer: Joel Graef, Katrin Schöning-Stierand
2020, 29. Jun - 03. Jul
Strasbourg Summer School Online Meeting
weitere Teilnehmer: Matthias Rarey
2020, 18. Jun
BioSolveIT Webinar
weitere Teilnehmer: Matthias Rarey
2020, 18. Jun
BioSolveIT Webinar
weitere Teilnehmer: Matthias Rarey
2020, 08. Jun - 10. Jun
ELIXIR All Hands meeting
08.06.2020, 14:00talk: Modern Algorithms for Structure Based Design Studies on the Web
weitere Teilnehmer: Katrin Schöning-Stierand

2019

2019, 03. Nov - 05. Nov
German Conference on Cheminformatics 2019, Mainz, Germany
04.11.2019, 11:12talk: JAMDA – Molecular Docking Revisited
04.11.2019, 16:00poster: Pharmacophore-based Searching in Chemical Fragment Spaces using a Genetic Algorithm
04.11.2019, 16:00poster: Pharmacophore-based Searching in Chemical Fragment Spaces using a Genetic Algorithm
weitere Teilnehmer: Konrad Diedrich, Uschi Dolfus, Emanuel Ehmki, Florian Flachsenberg, Joel Graef, Christian Meyenburg, Matthias Rarey, Robert Schmidt
2019, 25. Sep - 27. Sep
RDKit UGM, Hamburg
weitere Teilnehmer: Christian Meyenburg
2019, 22. Jul - 26. Jul
3rd International Summer School on Deep Learning, Warsaw/Poland
weitere Teilnehmer: Jochen Sieg
2019, 14. Jul - 19. Jul
Gordon Research Conference 2019, West Dover/VT, USA
15.07.2019, 16:00poster: Predicting Sites of Metabolism for both Phase I and Phase II Metabolism Using Machine Learning Models
15.07.2019, 16:00poster: Next Generation Methods for Structure-Based Fragment Growing
15.07.2019, 16:00poster: Interactive Machine Learning Assisted Visual Analysis of HTS Data
weitere Teilnehmer: Rainer Faehrrolfes, Christina Kops, Eva Nittinger, Patrick Penner, Matthias Rarey
2019, 13. Jul - 14. Jul
Gordon Research Seminar 2019, Mount Snow, West Dover/VT, USA
14.07.2019, 10:00talk: Predicting Sites of Metabolism for both Phase I and Phase II Metabolism Using Machine Learning Models
14.07.2019, 10:40talk: Next Generation Methods for Structure-Based Fragment Growing
14.07.2019, 11:00poster: Next Generation Methods for Structure-Based Fragment Growing
13.07.2019, 16:30poster: Interactive Machine Learning Assisted Visual Analysis of HTS Data
weitere Teilnehmer: Rainer Faehrrolfes, Christina Kops, Eva Nittinger, Patrick Penner, Matthias Rarey
2019, 08. Jul - 09. Jul
Machine Learning and AI in (Bio)chemical engineering, Cambridge/UK
09.07.2019, 09:00talk: Challenges in Protein-Structure-Driven Machine Learning and Applications in Biotechnology
weitere Teilnehmer: Jochen Sieg
2019, 17. Jun - 19. Jun
8th Sheffield Conference on Cheminformatics, Sheffield/GB
18.06.2019, 09:00talk: Connected subgraph fingerprint: from theory to applications
17.06.2019, 18:30poster: Exploring Fragment Spaces with Genetic Algorithms
17.06.2019, 18:30poster: REMUS - Alignment-Driven Virtual Screening with Adaptive Scoring
weitere Teilnehmer: Louis Bellmann, Joel Graef, Christian Meyenburg, Matthias Rarey
2019, 11. Jun - 12. Jun
20th Annual Drug Discovery Summit , Berlin
11.06.2019, 18:20talk: Data-Driven Structure-Based Drug Discovery
weitere Teilnehmer: Matthias Rarey
2019, 31. Mar - 04. Apr
ACS Spring 2019 National Meeting & Exposition, Orlando/Florida, USA
01.04.2019, 14:45talk: ProteinsPlus and SMARTSviewer: Two web applications for the modeling and cheminformatics community
03.04.2019, 09:05talk: Machine learning in the context of bioactivity
weitere Teilnehmer: Matthias Rarey
2019, 18. Mar - 22. Mar
KNIME Spring Summit 2019, Berlin
21.03.2019, 11:30talk: ProteinsPlus via KNIME: Supporting Structure-Based Design Studies
weitere Teilnehmer: Eva Nittinger

2018

2018, 11. Nov - 13. Nov
German Conference on Chemoinformatics 2018, Mainz/Germany
12.11.2018, 13:00talk: Interactive Visual Analysis of HTS Screening Data – A Machine-Learning Assisted Approach
12.11.2018, 14:00poster: Reconstruction of Molecules from Fingerprints
13.11.2018, 09:40talk: SMARTS Analytics
12.11.2018, 14:00poster: Automatic generation of high quality 3D Matched Molecular Pairs
weitere Teilnehmer: Wolf-Guido Bolick, Emanuel Ehmki, Rainer Faehrrolfes, Matthias Rarey, Robert Schmidt, Jochen Sieg
2018, 02. Oct - 05. Oct
DPhG-Jahrestagung 2018, Hamburg
weitere Teilnehmer: Johannes Kirchmair, Matthias Rarey
2018, 25. Sep - 28. Sep
German Conference on Bioinformatics 2018, Vienna/Austria
weitere Teilnehmer: Matthias Rarey
2018, 16. Sep - 20. Sep
EuroQSAR 2018, Thessaloniki/Greece
17.09.2018, 12:50poster: Using Active Machine Learning for the Visual Analysis of Screening Data
18.09.2018, 10:55talk: JAMDA - JUST A MOLECULAR DOCKING ALGORITHM
17.09.2018, 13:50talk: Automatic SMARTS Hierarchy Analysis for the Updated Torsion Library and Its Use in Scoring Torsion Bonds
weitere Teilnehmer: Ya Chen, Rainer Faehrrolfes, Ningning Fan, Florian Flachsenberg, Johannes Kirchmair, Christina Kops, Agnes Meyder
2018, 03. Sep - 07. Sep
de.NBI Summer School 2018 Riding the Data Life Cycle!, Braunschweig
weitere Teilnehmer: Eva Nittinger
2018, 27. Aug - 31. Aug
CIC Summer School on Cheminformatics, Halle-Wittenberg
weitere Teilnehmer: Eva Nittinger, Matthias Rarey
2018, 19. Aug - 23. Aug
ACS Fall Meeting 2018, Boston/MA, USA
22.08.2018, 11:15talk: Automatic generation of high quality 3D Matched Molecular Pairs
21.08.2018, 18:00poster: Comparison ofMolecular Patterns on the Example of SMARTS
weitere Teilnehmer: Emanuel Ehmki, Johannes Kirchmair
2018, 25. Jun - 29. Jun
Strasbourg Summer School on Cheminformatics 2018, Strasbourg
weitere Teilnehmer: Louis Bellmann, Patrick Penner, Matthias Rarey, Jochen Sieg, Conrad Stork
2018, 27. May - 31. May
11th International Conference on Chemical Structures, Noordwijkerhout The Netherlands
weitere Teilnehmer: Ya Chen, Johannes Kirchmair, Christina Kops, Matthias Rarey, Robert Schmidt, Jochen Sieg, Kai Sommer, Conrad Stork
2018, 18. Mar - 22. Mar
ACS Spring Meeting 2018, New Orleans,LA (USA)
20.03.2018, 14:30talk: All Problems Solved? On the Quest for Algorithms in Cheminformatics
21.03.2018, 10:30talk: Web-based Computing at the Interface of Crystallography and Structure-Based Design
weitere Teilnehmer: Matthias Rarey
2018, 19. Feb - 20. Feb
1st Workshop on Biomedical Information Management, Hamburg
19.02.2018, 16:30talk: Managing Large Protein Structure Collections
weitere Teilnehmer: Matthias Rarey
2018, 12. Jan
11th North German Biophysics Meeting, Borstel
12.01.2018, 11:00talk: Some Computational Aspects of Structure-Driven Life Science Research
weitere Teilnehmer: Matthias Rarey

2017

2017, 14. Dec
BioSolveIT Webinars
14.12.2017, 16:00talk: Getting the Most out of Protein Structures: Structure-based Molecular Design in the Big Data Era
weitere Teilnehmer: Matthias Rarey
2017, 06. Dec
CFEL-DESY Theory Seminar, DESY
06.12.2017, 14:00talk: Computational Methods to Deal with Large Protein Structure Collections
weitere Teilnehmer: Matthias Rarey
2017, 16. Nov - 17. Nov
GTCbio's 12th Drug Design & Medicinal Chemistry conference, Berlin
16.11.2017, 17:00talk: Getting the Most out of Protein Structures: Structure-based Molecular Design in the Big Data Era
weitere Teilnehmer: Matthias Rarey
2017, 05. Nov - 07. Nov
GCC 2017 - 13th German Conference on Chemoinformatics, Mainz
06.11.2017, 13:46poster: Comparison of Molecular Patterns on the Example of SMARTS
06.11.2017, 13:46poster: Comparison of Molecular Patterns on the Example of SMARTS
06.11.2017, 17:00poster: StructureChecker: An all-in-one tool for high quality 3D structure data set assemblage
weitere Teilnehmer: Emanuel Ehmki, Florian Flachsenberg, Agnes Meyder, Matthias Rarey, Robert Schmidt
2017, 20. Sep - 22. Sep
RDKit UGM, Berlin
21.09.2017, 15:00poster: NAOMI ChemBio Suite & Proteins Plus Webserver - An academic software collection for cheminformatics and structure based design
weitere Teilnehmer: Emanuel Ehmki
2017, 18. Sep - 21. Sep
German Conference on Bioinformatics 2017, Tübingen
weitere Teilnehmer: Matthias Rarey
2017, 17. Sep - 22. Sep
Vienna Summer School on Drug Design 2017, Vienna, Austria
20.09.2017, 11:00talk: Computational Prediction of Drug Metabolism
weitere Teilnehmer: Ya Chen, Nils-Ole Friedrich, Johannes Kirchmair, Christina Kops, Matthias Rarey, Robert Schmidt, Conrad Stork
2017, 16. Jul - 21. Jul
Gordon Research Conference 2017, Mount Snow West Dover, VT (USA)
17.07.2017, 16:00poster: Extending Rescoring Validation with the Electron Density Score of Individual Atoms (EDIA)
weitere Teilnehmer: Agnes Meyder, Eva Nittinger, Matthias Rarey, Kai Sommer
2017, 15. Jul - 16. Jul
Gordon Research Seminar 2017, Mount Snow, West Dover, VT
15.07.2017, 20:30talk: Fragment Growing Linked with User Constraints Through Intuitive Usage
15.07.2017, 16:30poster: Extending Rescoring Validation with the Electron Density Score of Individual Atoms (EDIA)
15.07.2017, 16:30poster: Extending Rescoring Validation with the Electron Density Score of Individual Atoms (EDIA)
15.07.2017, 16:30poster: Extending Rescoring Validation with the Electron Density Score of Individual Atoms (EDIA)
weitere Teilnehmer: Agnes Meyder, Eva Nittinger, Matthias Rarey, Kai Sommer
2017, 19. Jun
Seminar MPC, Medizinisches Proteom-Center, Ruhr-Universität Bochum
19.06.2017, 17:15talk: Dealing with Protein Structures: From Quality Assessment to Geometric Searching
weitere Teilnehmer: Matthias Rarey
2017, 02. Apr - 06. Apr
253rd ACS NATIONAL MEETING & EXPOSITION, San Francisco, USA
03.04.2017, 11:25talk: Semi-Interactive creation of 2D protein-ligand pose diagrams with PoseView-2
05.04.2017, 11:20talk: Dealing with x-ray data in structure-based design: Estimating and visualizing electron density support
03.04.2017, 16:15talk: Geometric searching in large collections of protein-ligand interfaces
02.04.2017, 18:30poster: Water, water, everywhere...: Modeling water molecules in protein-ligand complexes
02.04.2017, 10:25talk: Conserved H2OP in protein-ligand complexes: An evaluaton of water prediction tools
02.04.2017, 15:35talk: Hydrogen bond interaction geometries in protein-ligand complexes: From large-scale statistics to single cases
weitere Teilnehmer: Eva Nittinger, Matthias Rarey
2017, 12. Feb - 15. Feb
Frontiers in Medicinal Chemistry, Bern, Switzerland
14.02.2017, 15:00talk: Next Generation Tools for Structure-based Drug Design
01.01.1970, 01:00talk: In Silico Prediction of the ADMET Properties of Small Molecules
weitere Teilnehmer: Matthias Rarey

2016

2016, 21. Nov
HITS Heidelberg Kolloquium, HITS, Heidelberg
21.11.2016, 11:00talk: Novel Tools for Browsing Large Protein Structure Collections
weitere Teilnehmer: Matthias Rarey
2016, 06. Nov - 08. Nov
12th German Conference on Chemoinformatics 2016, Fulda, Germany
weitere Teilnehmer: Nils-Ole Friedrich, Therese Inhester, Johannes Kirchmair, Christina Kops, Agnes Meyder, Eva Nittinger, Matthias Rarey
2016, 06. Nov - 08. Nov
12th German Conference on Chemoinformatics (2016), Fulda, Germany
07.11.2016, 14:45talk: Hydrogen Bond Interaction Geometries in Proteins: A Large-Scale Statistical Study
08.11.2016, 11:40talk: Method for the automated compilation of datasets of accurate protein-bound ligand structures
weitere Teilnehmer: Stefan Bietz, Nils-Ole Friedrich, Therese Inhester, Johannes Kirchmair, Christina Kops, Agnes Meyder, Eva Nittinger, Matthias Rarey
2016, 26. Oct
5th RDKit User Group Meeting, Basel, Switzerland
26.10.2016, 10:30talk: Chemically meaningful ring perception: An open-source implementation of the Unique Ring Families approach
weitere Teilnehmer: Florian Flachsenberg
2016, 18. Sep
Pharmazeutisches Kolloquium, FB Pharmazie, Universität Marburg, Marburg
22.09.2016, 18:00talk: Modern Tools for Drug Discovery: From Molecular Pattern Recognition to Active Site Analysis
weitere Teilnehmer: Matthias Rarey
2016, 12. Sep - 15. Sep
German Conference on Bioinformatics 2016, Berlin, Germany
weitere Teilnehmer: Matthias Rarey
2016, 04. Sep - 08. Sep
21st EuroQSAR, Verona/Italien
weitere Teilnehmer: Johannes Kirchmair, Matthias Rarey
2016, 04. Sep - 08. Sep
EuroQSAR, Verona
05.09.2016, 13:40poster: On the prediction of xenobiotic metabolism
weitere Teilnehmer: Johannes Kirchmair, Matthias Rarey
2016, 04. Jul - 06. Jul
Sheffield Conference on Chemoinformatics 2016, Sheffield/UK
05.07.2016, 11:58talk: EDIA: Estimating Electron Density Support for Individual Atoms in X-ray Structures
04.07.2016, 18:30poster: An easy-to-use software tool for compound library conversion and isomeric enumeration
weitere Teilnehmer: Agnes Meyder, Matthias Rarey, Kai Sommer
2016, 27. Jun - 01. Jul
Strasbourg Summer School 2016, Strasbourg/Frankreich
29.06.2016, 12:01talk: Computational Methods for Knowledge Extraction from Large Protein Structure Collections
weitere Teilnehmer: Rainer Faehrrolfes, Matthias Rarey
2016, 26. Apr - 27. Apr
Deutsche Biotechnologietage 2016, Leipzig
26.04.2016, 16:45talk: BIOSCORE: Computergestützte Modellierung von Protein-Ligand-Interaktionen - Anwendungen in der weißen und roten Biotechnologie
weitere Teilnehmer: Matthias Rarey
2016, 13. Mar - 17. Mar
251st ACS National Meeting, San Diego/USA
13.03.2016, 15:25talk: Fast Mining of Adaptable Interaction Patterns in Protein-Ligand Interface
14.03.2016, 13:40talk: Interactive Cheminformatics for Occasional Use in SMEs
13.03.2016, 18:30poster: Indexing Techniques and Algorithms to efficiently Mine Interaction Patterns in Large Sets of Protein-Ligand-Complexes
13.03.2016, 13:35talk: Towards a fully automated creation of large protein structure ensembles
17.03.2016, 15:45talk: Medicinal Chemistry: From Intuitive Rules and Examples to Chemical Patterns
13.03.2016, 11:20talk: Structure- and Knowledge-Driven Interactive Design
weitere Teilnehmer: Therese Inhester, Matthias Rarey

2015

2015, 27. Nov
Young Modelers Forum London, London, UK
27.11.2015, 11:00talk: Protein-Ligand Interaction Preferences: An Evaluation of Actual vs. Possible Hydrogen Bonds
weitere Teilnehmer: Eva Nittinger
2015, 08. Nov - 10. Nov
11th German Conference on Chemoinformatics, Fulda, Germany
01.01.1970, 01:00poster: SMARTSminer: Interaktively mining discriminative patterns
01.01.1970, 01:00poster: SMARTSminer: Interaktively mining discriminative patterns
09.11.2015, 14:45talk: Identification and Preprocessing of Alternative Protein Binding Site Conformations for Modeling Protein Flexibility
09.11.2015, 16:00poster: A new benchmarking dataset for conformer ensemble generators
09.11.2015, 16:00poster: SMARTSminer: Interactively mining discriminative patterns
09.11.2015, 16:00poster: SMARTSminer: Interactively mining discriminative patterns
09.11.2015, 16:00poster: SMARTSminer: Interactively mining discriminative patterns
09.11.2015, 16:00poster: SMARTSminer: Interactively mining discriminative patterns
weitere Teilnehmer: Stefan Bietz, Nils-Ole Friedrich, Johannes Kirchmair, Matthias Rarey, Karen Schomburg
2015, 08. Nov - 10. Nov
11th German Conference on Chemoinformatics 2015, Fulda, Germany
weitere Teilnehmer: Stefan Bietz, Nils-Ole Friedrich, Matthias Rarey
2015, 06. Oct
UK QSAR and ChemoInformatics Group, Airspace Conference Centre, Imperial War Museum, Duxford
06.10.2015, 10:30talk: Analysis of Protein Structures
weitere Teilnehmer: Matthias Rarey
2015, 27. Sep - 30. Sep
German Conference on Bioinformatics 2015, Dortmund, Germany
30.09.2015, 11:40talk: Integrating Sequence and Structure Information for Efficient Retrieval and Alignment of Flexible Protein Binding Sites
30.09.2015, 11:20talk: Development and application of computational methods for lead identification and optimization
weitere Teilnehmer: Johannes Kirchmair, Matthias Rarey
2015, 27. Sep - 30. Sep
German Conference on Bioinformatics (GCB) 2015, Dortmund, Germany
30.09.2015, 11:20talk: Development and application of computational methods for lead identification and optimization
weitere Teilnehmer: Johannes Kirchmair, Matthias Rarey
2015, 16. Aug - 20. Aug
250th ACS National Meeting, Boston, USA
01.01.1970, 01:00talk: Library Design in Pharmacophore and Shape Space
01.01.1970, 01:00talk: Pipelining in Mind: Compound Library Preprocessing in an Interactive Workflow
weitere Teilnehmer: Matthias Rarey
2015, 19. Jul - 24. Jul
Gordon Research Conference 2015, Mount Snow Resort, USA
20.07.2015, 11:10talk: Openness and Its Relation to Scientific Innovation: From Open Source to Open Methods - From Open Data to Open Validation
01.01.1970, 01:00poster: Protein and Ligand Interaction Preferences: A Large Scale Study
01.01.1970, 01:00poster: Automated Collection and Preprocessing of Protein Structure Ensembles
01.01.1970, 01:00poster: An index-based virtual screening technology and its application for ligand- based screening and compound library design
weitere Teilnehmer: Mathias Behren, Stefan Bietz, Eva Nittinger, Matthias Rarey
2015, 18. Jul - 19. Jul
Gordon Research Seminar 2015, Mount Snow, USA
18.07.2015, 16:05talk: Protein and Ligand Interaction Preferences: A Large Scale Study
weitere Teilnehmer: Eva Nittinger
2015, 08. Jun - 09. Jun
16th Drug Discovery Summit 2015, Berlin, Germany
09.06.2015, 16:00talk: Molecular Design: Examples for an Interactive Approach
weitere Teilnehmer: Matthias Rarey
2015, 17. May - 22. May
10th European Workshop in Drug Design, Siena, Italy
weitere Teilnehmer: Florian Flachsenberg
2015, 05. May - 06. May
9th Drug Design & Medicinal Chemistry Conference, Berlin, Germany
06.05.2015, 11:35talk: Interactive Design Tools: From Library Composition to Lead Optimization
weitere Teilnehmer: Matthias Rarey
2015, 28. Apr
BIOKATALYSE2021, Hamburg, Germany
28.04.2015, 11:33talk: P47 – BioScore: Neue Methoden zur energetischen Bewertung von Protein-Protein- und Protein-Ligand-Interaktionen für bioindustrielle Anwendungen
weitere Teilnehmer: Stefan Bietz, Eva Nittinger, Matthias Rarey
2015, 27. Apr - 28. Apr
Leibniz Wirkstofftage, Hamburg, Germany
01.01.1970, 01:00talk: Keynote lecture: Can computers boost academic drug discovery?
weitere Teilnehmer: Therese Inhester, Johannes Kirchmair, Eva Nittinger
2015, 09. Apr - 11. Apr
1st CSSB International Symposium, Hamburg, Germany
10.04.2015, 15:05talk: Computational Approaches to Active Site Analysis
10.04.2015, 17:00poster: Target Identification by Inverse Virtual Screening
10.04.2015, 15:32poster: Searching for Interaction Patterns in ProteinLigand Interfaces
01.01.1970, 01:00poster: Molecular dynamics simulations reveal a new drug resistance mechanism observed for the viral capsid protein 1 of coxsackievirus B3
weitere Teilnehmer: Therese Inhester, Johannes Kirchmair, Matthias Rarey, Karen Schomburg
2015, 09. Apr - 11. Apr
1st CSSB International Symposium, Hamburg, Germany
01.01.1970, 01:00poster: Molecular dynamics simulations reveal a new drug resistance mechanism observed for the viral capsid protein 1 of coxsackievirus B3
weitere Teilnehmer: Therese Inhester, Johannes Kirchmair, Matthias Rarey, Karen Schomburg
2015, 09. Mar - 11. Mar
29th Molecular Modelling Workshop 2015, Erlangen, Germany
10.03.2015, 13:55talk: EDIA – A New Estimate of Electron Density of Individual Atoms for Validating Water Molecules
weitere Teilnehmer: Eva Nittinger

2014

2014, 28. Sep - 01. Oct
German Conference on Bioinformatics, Bielefeld, Germany
weitere Teilnehmer: Matthias Rarey
2014, 21. Sep - 24. Sep
Fragment-based Lead Discovery Conference 2014, Basel, Switzerland
22.09.2014, 16:40talk: Exploring local chemical space: From fragments to molecules with a defined physicochemical profile
weitere Teilnehmer: Florian Lauck
2014, 31. Aug - 04. Sep
EuroQSAR 2014, St. Petersburg, Russia
01.09.2014, 14:30poster: Design your Chemical Universe: Mining Fragment Spaces for Novel Molecules
weitere Teilnehmer: Florian Lauck
2014, 10. Aug - 14. Aug
248th ACS National Meeting & Exposition, San Francisco, California, USA
10.08.2014, 16:15talk: Water in Proteins - A Statistical Evaluation Based on Electron Density
weitere Teilnehmer: Matthias Rarey
2014, 23. Jun - 27. Jun
Strasbourg Summer School, Strasbourg/France
25.06.2014, 11:20talk: Protein Structures: Closing the Gap from PDB to Modeling Input
weitere Teilnehmer: Matthias Rarey, Kai Sommer
2014, 01. Jun - 05. Jun
ICCS/GCC, Noordwijkerhout/Netherlands
02.06.2014, 15:00poster: MONA – Intuitive, visual navigation through molecule collections
03.06.2014, 11:00talk: The Motility of Water Molecules – A Statistical Evaluation of Water Molecules Based on Electron Density
02.06.2014, 15:00poster: Discriminative Chemical Patterns: Automatic and Interactive Design
weitere Teilnehmer: Stefan Bietz, Matthias Hilbig, Eva Nittinger, Matthias Rarey
2014, 02. Apr - 31. May
Chemie für Alle, Fachbereich Chemie, Hörsaal B
30.04.2014, 17:00talk: Computergestütztes Modelling: Molekülkomplexe - Nicht Live, aber in Farbe
weitere Teilnehmer: Matthias Rarey
2014, 28. Mar
CEADD2014: Modelling water in biological systems, London/UK
weitere Teilnehmer: Eva Nittinger
2014, 24. Mar - 27. Mar
International Workshop: New Approaches in Drug Design & Discovery, Rauischholzhausen
24.03.2014, 20:00poster: A generic physics-based concept to estimate intermolecular interactions
weitere Teilnehmer: Nadine Schneider
2014, 16. Mar - 20. Mar
247th ACS National Meeting & Exposition, Dallas, Texas, USA
16.03.2014, 18:30poster: PoseView: Visualization of protein-ligand interactions in two dimensions
16.03.2014, 09:00talk: SMARTSeditor: A graphical approach to the creation of chemical patterns
16.03.2014, 14:00talk: Prediction of Tautomers and Protonation States in Protein-Ligand Binding Sites
16.03.2014, 11:05talk: Accessing Open PHACTS: Interactive exploration of compounds and targets from the semantic web
18.03.2014, 15:20talk: Modeling with experimental data at your fingertips
16.03.2014, 11:15talk: Using a water interaction model for developing protein-ligand scoring functions
16.03.2014, 19:00poster: Simplifying the navigation through pharmacological data in the world-wide web
weitere Teilnehmer: Matthias Rarey, Katrin Schöning-Stierand
2014, 10. Mar - 11. Mar
Frühjahrstagung der Biotechnologen 2014, Frankfurt
11.03.2014, 09:35talk: Von Proteinstrukturen zu bioaktiven Verbindungen: Aktuelle Themen und Herausforderungen im computergestützten Modelling
weitere Teilnehmer: Matthias Rarey

2013

2013, 10. Nov - 12. Nov
German Conference on Chemoinformatics, Fulda
11.11.2013, 16:00poster: Accessing Open PHACTS: Interactive exploration of compounds and targets from the semantic web (P54)
10.11.2013, 15:25talk: Facing the Challenges of Computational Target Prediction
11.11.2013, 16:00poster: Elucidating Protein-Protein Interactions Using the HYDE Scoring Function
weitere Teilnehmer: Eva Nittinger, Matthias Rarey, Karen Schomburg, Katrin Schöning-Stierand
2013, 15. Sep - 20. Sep
Vienna Summer School 2013, Wien, Österreich
18.09.2013, 09:45talk: What you ever wanted to know about Cheminformatics
01.01.1970, 01:00poster: Protein-Protein Interactions: Interface Hotspots and Classification
weitere Teilnehmer: Eva Nittinger, Matthias Rarey
2013, 10. Sep - 13. Sep
German Conference on Bioinformatics 2013, Göttingen
12.09.2013, 11:00talk: Exploiting structural information for target assessment
weitere Teilnehmer: Matthias Rarey, Andrea Volkamer
2013, 03. Sep - 05. Sep
2nd International Conference and Exhibition Drug Design 2013, Oxford, UK
04.09.2013, 14:45talk: TorLib: an expert collection of torsion angle preferences - analysis and generation of conformations relevant to the drug design process
weitere Teilnehmer: Christin Schärfer
2013, 22. Jul - 24. Jul
Sheffield Conference on Chemoinformatics, Sheffield, UK
22.07.2013, 18:30poster: Chemical Patterns: A Visual Approach to Interpretation and Design
22.07.2013, 18:30poster: CONFECT: Generating conformations from an expert collection of torsion patterns
22.07.2013, 18:30poster: Dealing with Combinatorial Chemical Space: Towards a Universal Framework
24.07.2013, 09:30talk: Prediction of Tautomers and Protonation States in Protein- Ligand Binding Sites
weitere Teilnehmer: Stefan Bietz, Florian Lauck, Christin Schärfer
2013, 21. Jul - 26. Jul
Gordon Research Conference, Mount Snow, West Dover (VT), USA
23.07.2013, 11:00poster: Challenges in the Evaluation of Inverse Virtual Screening
23.07.2013, 11:00poster: Sensitivity vs. robustness: The discrepancy in developing protein-­‐ligand scoring functions
23.07.2013, 11:00poster: Challenges in Automatic Structure-Based Protein Druggability and Function Prediction
weitere Teilnehmer: Nadine Schneider, Karen Schomburg, Andrea Volkamer
2013, 24. Jun - 05. Jul
Summer School "Programming Heterogeneous Parallel Architectures", Cadarache, Frankreich
weitere Teilnehmer: Agnes Meyder
2013, 10. Jun - 11. Jun
BIOKATALYSE2021-Clusterkonferenz, Hamburg
10.06.2013, 14:45talk: Bioinformatik - Alltäglich und für Jeden
10.06.2013, 14:45poster: P16/P47: Supporting Biocatalysis research with structural bioinformatics
10.06.2013, 14:45poster: P16/P47: Supporting Biocatalysis research with structural bioinformatics
weitere Teilnehmer: Agnes Meyder, Eva Nittinger, Matthias Rarey, Nadine Schneider, Andrea Volkamer
2013, 19. May - 25. May
9th European Workshop in Drug Design, Siena, Italien
24.05.2013, 17:00poster: Large Scale Generation of Small Molecule 3D Coordinates from Topology
weitere Teilnehmer: Therese Inhester, Thomas Otto
2013, 22. Apr - 23. Apr
4th Open PHACTS Community Workshop, London, GB
22.04.2013, 12:12talk: ChemBioNavigator - Chemically-Aware Visualizations of Chemical & Biological Spaces
weitere Teilnehmer: Tim Harder
2013, 08. Apr - 11. Apr
CCG UG & Conference 2013, Amsterdam
09.04.2013, 11:15talk: Scoring Molecular Complexes: From Virtual Screening to Interactive Molecular Design
weitere Teilnehmer: Matthias Rarey
2013, 02. Apr - 18. Jun
Was wie wofür studieren?, Hamburg
04.06.2013, 18:15talk: An der Schnittstelle: Informatik trifft Naturwissenschaften
weitere Teilnehmer: Matthias Rarey
2013, 24. Mar - 28. Mar
MNU Bundeskongress Hamburg, Hamburg
27.03.2013, 12:15talk: Chemieinformatik in der Praxis oder "Wie googelt man eigentlich ein Molekül?"
weitere Teilnehmer: Matthias Rarey
2013, 14. Mar - 15. Mar
Tagung des ZKI Arbeitskreis "Supercomputing", Paderborn
01.01.1970, 01:00talk: Force field-based minimizations in the blink of an eye
weitere Teilnehmer: Lennart Heinzerling

2012

2012, 16. Nov
Geburtstagskolloquium von Thomas Lengauer
01.01.1970, 01:00talk: Cheminformatics -- Computer Science for the Chemical Bench
01.01.1970, 01:00talk: kein Thema
weitere Teilnehmer: Matthias Rarey
2012, 11. Nov - 14. Nov
8th German Conference on Chemoinformatics, Goslar
01.01.1970, 01:00poster: TorsionAnalyzer: Exploring conformational space
01.01.1970, 01:00poster: Force-field-based minimizations of protein-ligand complexes in the blink of an eye
01.01.1970, 01:00talk: Let´s talk about Rings
weitere Teilnehmer: Lennart Heinzerling, Matthias Rarey, Christin Schärfer
2012, 25. Sep - 29. Sep
Strasbourg Summer School on Chemoinformatics 2012, Strasbourg
weitere Teilnehmer: Mathias Behren
2012, 10. Sep - 13. Sep
Annual meeting ProcessNet and 30. Annual meeting of Biotechnologists 2012, Karlsruhe
01.01.1970, 01:00talk: Computergestützte Vorhersage von Enzymaktivität in verschiedenen Pufferlösungen
weitere Teilnehmer: Karen Schomburg
2012, 26. Aug - 30. Aug
19th EuroQSAR Knowledge Enabled Ligand Design, Vienna, Austria
01.01.1970, 01:00poster: The Internet as scientific knowledge Base: Navigating the Chem-Bio Space
01.01.1970, 01:00talk: Consistent Handling of Flexible Interaction Sites for Efficient Structure-Based Virtual Screening
weitere Teilnehmer: Angela Henzler, Matthias Rarey, Katrin Schöning-Stierand
2012, 19. Aug - 21. Aug
244th ACS National Meeting, Philadelphia, PA.
01.01.1970, 01:00poster: Torsion Fingerprint Deviation: a novel measure to compare small molecule conformations
01.01.1970, 01:00talk: Torsion Analyzer: Interactive analysis and exploration of the conformational space
01.01.1970, 01:00talk: Force field-based minimizations in the blink of an eye
01.01.1970, 01:00talk: Force field-based minimizations in the blink of an eye
01.01.1970, 01:00talk: Structure-based virtual screening considering multiple hydrogen-bond interaction patterns
weitere Teilnehmer: Angela Henzler, Christin Schärfer
2012, 12. May - 13. May
International Workshop, New Approaches in Drug Design and Discovery, Rauischholzhausen
01.01.1970, 01:00talk: Consistent Estimation of Hydrogen Bond and Dehydration Energy using the HYDE Scoring Function
weitere Teilnehmer: Nadine Schneider
2012, 02. May
Hamburger Studententagung 2012, Hamburg
weitere Teilnehmer: Mathias Behren
2012, 25. Mar - 29. Mar
243th ACS National Meeting, San Diego, USA
01.01.1970, 01:00talk: Discrimination of Permanent and Transistent Heterodimers: A Real Challenge in the Classification of Protein-Protein Interactions
01.01.1970, 01:00talk: HYDE in Practice: Understanding Protein Ligand Interactions
01.01.1970, 01:00poster: Simplifying the design and interpretation of chemical patterns: A visual approach
01.01.1970, 01:00talk: Combining automatic active site analysis and...
01.01.1970, 01:00talk: Combining Global and Local Measures for Structure-Based Druggability Predictions
01.01.1970, 01:00talk: How to design chemical patterns easily with an interactive editor
01.01.1970, 01:00talk: Computational prediction of enzymatic activity in different buffer solutions
01.01.1970, 01:00poster: Being Different: Industrial Academic...
01.01.1970, 01:00talk: Tools for an interactive Design of Novel Molecules
01.01.1970, 01:00talk: Where Screening starts: Effective Preprocessing...
weitere Teilnehmer: Nadine Schneider, Karen Schomburg, Andrea Volkamer
2012, 10. Feb - 12. Feb
10th Swiss Snow Symposium, Lenk, CH
01.01.1970, 01:00talk: Exhaustive Computer-Aided Active Site Analysis for Structure-Based Protein Function and Druggability Predictions
weitere Teilnehmer: Andrea Volkamer

2011

2011, 05. Dec - 06. Dec
7th Status Seminar Chemical Biology, Frankfurt am Main
01.01.1970, 01:00poster: Computational prediction of enzyme activity in different buffer solutions
01.01.1970, 01:00talk: Combining Automatic Active Site Analysis and Docking for Structure-Based Protein Function Prediction
weitere Teilnehmer: Matthias Rarey, Karen Schomburg, Andrea Volkamer
2011, 07. Nov - 09. Nov
German Conference on Bioinformatics 2011, Weihenstephan
07.11.2011, 16:00talk: Discrimination of Permanent and Transient Heterodimers: The Real Challenge in the Classification of Protein-Protein Interactions
weitere Teilnehmer: Eva Nittinger
2011, 06. Nov - 08. Nov
7th German Conference on Chemoinformatics, Goslar
01.01.1970, 01:00poster: A Flexible-Hydrogen Interaction Model For Protein-Ligand Docking
01.01.1970, 01:00poster: Systematic search for pairwise dependencies of torsion angles
weitere Teilnehmer: Angela Henzler, Christin Schärfer
2011, 19. Sep - 22. Sep
MipTec 2011, Basel, CH
01.01.1970, 01:00talk: Getting the Most out of Structures: From Visual Scoring Functions to Activity Cliffs
weitere Teilnehmer: Matthias Rarey
2011, 15. Sep - 20. Sep
Vienna Summer School 2011, Wien, Österreich
weitere Teilnehmer: Stefan Bietz, Angela Henzler, Christin Schärfer
2011, 28. Aug - 01. Sep
242nd ACS National Meeting, Denver, USA
01.01.1970, 01:00talk: Mona: A Solution for handling large Data sets...
01.01.1970, 01:00talk: Unique cycle families: A set of unique...
01.01.1970, 01:00talk: Driving Structure-based Virtual Screening towards Interactivity
01.01.1970, 01:00talk: Pragmatic Approaches to Structure-based Drug Design
01.01.1970, 01:00talk: Visual Chemical Patterns: SMART(S) to Look at
weitere Teilnehmer: Adrian Kolodzik, Matthias Rarey
2011, 14. Aug - 19. Aug
Gordon Research Conference 2011, Tilton,USA
01.01.1970, 01:00poster: HYDE: A consistent Description of HYdration and DEsolvation in Scoring of Protein-Ligand Complexes
weitere Teilnehmer: Nadine Schneider
2011, 05. Jun - 09. Jun
9th International Conference on Chemical Structures, Noordwijkerhoud, NL
01.01.1970, 01:00poster: Visual Chemical Patterns: From Automated Depiction to Interactive Design
01.01.1970, 01:00poster: NAOMI- On the almost trivial task of reading molecules from different file formats
01.01.1970, 01:00talk: Combining Global and Local Measures for Druggability Predictions
01.01.1970, 01:00talk: On the Exclusion of Unwanted Chemical Patterns From Large Fragment Spaces
weitere Teilnehmer: Hans-Christian Ehrlich, Karen Schomburg, Sascha Urbaczek, Andrea Volkamer
2011, 27. Mar - 31. Mar
241st ACS National Meeting, Anaheim, USA
01.01.1970, 01:00talk: HYDEing the False Positives
weitere Teilnehmer: Nadine Schneider
2011, 25. Mar - 26. Mar
GI-Informatiktage, Bonn
01.01.1970, 01:00poster: Visualization of chemical patterns using the example of SMARTS expressions
weitere Teilnehmer: Karen Schomburg

2010

2010, 07. Nov - 09. Nov
6th German Conference on Chemoinformatics, Goslar
01.01.1970, 01:00poster: HYDEing the false posi.ves – Scoring for lead op-miza-on
01.01.1970, 01:00poster: HYDEing the false positves – Scoring for lead optimization
01.01.1970, 01:00talk: Chemical Pattern Visualization in 2D –The SMARTSviewer
weitere Teilnehmer: Stefan Bietz, Nadine Schneider, Karen Schomburg
2010, 19. Sep - 22. Sep
German Conference on Bioinformatics 2010, Braunschweig
01.01.1970, 01:00talk: The art of drawing molecular complexes
weitere Teilnehmer: Katrin Schöning-Stierand
2010, 19. Sep - 24. Sep
Euro QSAR 2010, Rhodos, GRE
01.01.1970, 01:00poster: Enabling Partial Shape Similarity Searching with Index-Driven Virtual Screening
01.01.1970, 01:00talk: From Activity Cliffs to Target‐Specific Scoring and Pharmacophoric Hypothesis
01.01.1970, 01:00poster: Automatically Predicted Sub-pockets Pave the Way for Descriptorbased Druggability Studies
weitere Teilnehmer: Christin Schärfer, Birte Seebeck, Andrea Volkamer
2010, 29. Aug - 02. Sep
Biocat2010, Hamburg
01.01.1970, 01:00talk: COMPASITES: A Tool for Automated Active-Site Based Structure-Function Analysis.
weitere Teilnehmer: Andrea Volkamer
2010, 29. Aug - 03. Sep
Gordon Research Conference 2010, Les Diablerets, Switzerland
01.01.1970, 01:00talk: Structure-based Molecular Design: Pragmatic Approaches to Docking, Scoring and the Analysis of Complexes
weitere Teilnehmer: Matthias Rarey
2010, 21. Aug - 27. Aug
240th ACS National Meeting, Boston, USA
01.01.1970, 01:00talk: UsingActivityCliff Information in Structure-BasedDesign Approaches
01.01.1970, 01:00talk: Automated prediction of tautomeric states...
weitere Teilnehmer: Birte Seebeck, Sascha Urbaczek
2010, 12. Jul - 15. Jul
5th Joint Sheffield Conference on Chemoinformatics, Sheffield,UK
01.01.1970, 01:00poster: Searching substructures in fragment spaces
01.01.1970, 01:00poster: Drawing the PDB: A large-scale application study of the 2D drawing tool Pose View
01.01.1970, 01:00poster: HYDEing the false positves – Scoring for lead optimization
weitere Teilnehmer: Hans-Christian Ehrlich, Nadine Schneider, Katrin Schöning-Stierand
2010, 23. Jun - 25. Jun
CHI - Structure-Based Drug Design, Boston,USA
01.01.1970, 01:00poster: Introducing Protein Flexibility To Index-Driven Structure-Based Virtual Screening
01.01.1970, 01:00poster: Drawing the PDB: A large-scale application study of the 2D drawing tool Pose View
01.01.1970, 01:00poster: Pockets are made of Sub-pockets: Automated Detection of Ligand Binding Sites for Structure-based Function Analysis and Druggability Studies
01.01.1970, 01:00talk: Dock-Score-Analyze: Novel Approaches to Structure-based Virtual Screening
01.01.1970, 01:00talk: Dock-Score-Analyze: Novel Approaches to Structure-based Virtual Screening
weitere Teilnehmer: Angela Henzler, Matthias Rarey, Katrin Schöning-Stierand, Andrea Volkamer
2010, 25. Apr - 28. Apr
23rd ICAR, San Francisco, USA
01.01.1970, 01:00poster: Rational Drug Design – Screening and Synthesis of Potential Deoxyhypusine Synthase Inhibitors Targeting HIV-1 Replication
weitere Teilnehmer: Adrian Kolodzik
2010, 21. Mar - 25. Mar
239th ACS National Meeting, San Francisco, USA
01.01.1970, 01:00talk: Qsearch Pharmacophore-based search in fragment...
01.01.1970, 01:00talk: Future Trends: In silico Lead Disvovery
01.01.1970, 01:00talk: Computational Methods for 2D Visualization of Molecular Interaction Patterns
01.01.1970, 01:00talk: Conformational Sampling for Large- Scale Virtual Screening
weitere Teilnehmer: Tobias Lippert, Matthias Rarey

2009

2009, 17. Nov - 18. Nov
AIO Symposium , Berlin
01.01.1970, 01:00poster: Computational methods in drug development
weitere Teilnehmer: Adrian Kolodzik
2009, 07. Nov - 09. Nov
5th German Conference on Chemoinformatics, Goslar
01.01.1970, 01:00poster: PoseView- Molecular Interaction Patterns at a Glance
01.01.1970, 01:00poster: Where are the boundaries? Automated Pocket Detection for Druggability Studies
weitere Teilnehmer: Katrin Schöning-Stierand, Andrea Volkamer
2009, 19. Sep - 23. Sep
FBLD Conference, York,UK
01.01.1970, 01:00talk: From Fragment Spaces to Focused Libraries
weitere Teilnehmer: J. Robert Fischer
2009, 15. Aug - 26. Aug
238th ACS National Meeting, Washington, USA
01.01.1970, 01:00talk: PoseView: 2D Visualization of protein-ligand complexes
01.01.1970, 01:00talk: A fresh Look at 3D Database Searching
01.01.1970, 01:00talk: Fragement-bades Design: The Experimental Approach
20.08.2009, 08:30talk: Operating in Chemical Spaces Novel Methods for Lead Identification and Library Design
weitere Teilnehmer: Matthias Rarey, Katrin Schöning-Stierand
2009, 18. Jul - 24. Jul
Gordon Research Conference 2009, Tilton,USA
01.01.1970, 01:00poster: Poster: Conformational Sampling for Large-Scale Virtual Screening Databases: Accuracy vs. Ensemble Size
01.01.1970, 01:00poster: TrixX BMI and the Economy of Time. An Index-Driven Approach to Structure-Based Lead Identification
weitere Teilnehmer: Axel Griewel, Jochen Schlosser
2009, 25. May
International Symposium on Voronoi Diagrams in science and engineering 2009, Kopenhagen,DK
weitere Teilnehmer: Tim Harder
2009, 20. Mar - 27. Mar
237th ACS National Meeting, Salt Lake City, USA
01.01.1970, 01:00talk: LoFT: Focuses library design...
weitere Teilnehmer: J. Robert Fischer
2009, 16. Mar - 24. Mar
Computional Chemistry Conference, Antigua/ Barbuda
01.01.1970, 01:00talk: Ligand- dependent Modulation of Nuclear Receptors - News from the Xenosensor CAR
weitere Teilnehmer: Björn Windshügel
2009, 28. Feb
Dahlem Symposium, Berlin
01.01.1970, 01:00talk: From Screening to Searching: Index-driven Approaches to Structural Lead Optimization
weitere Teilnehmer: Matthias Rarey

2008

2008, 09. Nov - 11. Nov
4th German Conference on Chemoinformatics, Goslar
01.01.1970, 01:00poster: Incorporating QSPR in the Enumeration of Fragment Space
01.01.1970, 01:00poster: Sublinear ligand-based virtual screening using bitmap indices
01.01.1970, 01:00poster: TrixX BMI and the Economy of Time. An Index-Driven Approach to Structure-Based Lead Identification
weitere Teilnehmer: Juri Pärn, Christin Schärfer, Jochen Schlosser
2008, 14. Oct - 16. Oct
MipTec 2008, Basel, CH
01.01.1970, 01:00talk: From Fragments to Fragment Spaces: A Systematic View on Chemical Space
weitere Teilnehmer: Matthias Rarey
2008, 07. Oct - 09. Oct
European Bioperspectives 2008, Hannover
01.01.1970, 01:00talk: Index Driven Structure-Based Virtual Screening
weitere Teilnehmer: Matthias Rarey
2008, 21. Sep - 26. Sep
Euro QSAR 2008, Uppsala, SWE
01.01.1970, 01:00poster: Incorporating QSPR in the Enumeration of Focused Fragment Space Libraries
weitere Teilnehmer: Juri Pärn
2008, 17. Aug - 21. Aug
236th ACS National Meeting, Philadelphia, USA
01.01.1970, 01:00talk: On modeling, selecting and using ‘drug-like’ chemical matter: Toward optimized fragment collections
01.01.1970, 01:00talk: From molecules to fragment spaces to focused libraries
21.08.2008, 13:30talk: DeNovo Design as a tool for medicinal chemists: minimal requirements for a renewed consideration
weitere Teilnehmer: Jörg Degen, Juri Pärn
2008, 01. Jun - 05. Jun
8th International Conference on Chemical Structures, Noordwijkerhoud, NL
01.01.1970, 01:00talk: Index-driven structure-based virtual screening (Dokument fehlt)
weitere Teilnehmer: Jochen Schlosser
2008, 26. Apr - 30. Apr
Darmstädter Modelling Workshop 2008, Erlangen
01.01.1970, 01:00talk: ProToss A fast proton tosser for protein-ligand complexes
01.01.1970, 01:00talk: 2D Visualizing and Navigation in Fragment-Based Chemistry Spaces
weitere Teilnehmer: Tobias Lippert
2008, 23. Apr
Machine Learning in Structural Bioinformatics , Kopenhagen,DK
weitere Teilnehmer: Tim Harder
2008, 12. Mar
Boston Area Group for Informatics and Modeling (BAGIM) 2008, Boston,USA
01.01.1970, 01:00talk: To Link or not to Link, That is the Question! Computational Tools for Fragment-Based Lead Discovery and Optimization
weitere Teilnehmer: Matthias Rarey

2007

2007, 26. Nov - 27. Nov
4th Status Seminar Chemical Biology, Frankfurt am Main
01.01.1970, 01:00poster: Modeling of Metal Interaction Geometries for Structure-based Virtual Screening
weitere Teilnehmer: Birte Seebeck
2007, 11. Nov - 13. Nov
3rd German Conference on Chemoinformatics, Goslar
01.01.1970, 01:00poster: HYDE : Towards an integrated scoring of hydrogen bonding and dehydration
weitere Teilnehmer: Ingo Reulecke
2007, 26. Sep - 28. Sep
German Conference on Bioinformatics 2007, Berlin
weitere Teilnehmer: Tim Harder
2007, 19. Aug - 23. Aug
234th ACS National Meeting, Boston, USA
01.01.1970, 01:00talk: A fast and versatile method for scaffold hopping
01.01.1970, 01:00talk: TrixX - BMI Screening with Indexing Technology
weitere Teilnehmer: Patrick Maaß, Jochen Schlosser
2007, 21. Jul - 25. Jul
15th Annual International Conference on Intelligent Systems for Molecular Biology, Wien, AUT
01.01.1970, 01:00talk: Introduction to Chem(o)informatics
weitere Teilnehmer: Matthias Rarey
2007, 18. Jun - 20. Jun
4th Sheffield Conference on Chemoinformatics, Sheffield, UK
01.01.1970, 01:00talk: HYDE: Towards an integrated description of hydrogen bonding and desolvation
weitere Teilnehmer: Ingo Reulecke
2007, 15. May - 16. May
Molecular Modeling Workshop 2007, Erlangen
01.01.1970, 01:00talk: SwiFT: An index structure for reduced graph descriptors in virtual screening and clustering
weitere Teilnehmer: J. Robert Fischer
2007, 07. May - 10. May
MipTec 2007, Basel, CH
01.01.1970, 01:00talk: Think Combinatorial: Fragement-based Approaches to Structure-based Design
weitere Teilnehmer: Matthias Rarey
2007, 01. May - 04. May
CBSB Konferenz 2007, Jülich
01.01.1970, 01:00poster: CRoMA Computational Reconstruction of Macromolecular Assemblies
weitere Teilnehmer: Axel Griewel
2007, 26. Mar - 29. Mar
New Approaches in Drug Design and Discovery 2007, Marburg
01.01.1970, 01:00poster: Modeling of a Medal Interaction Geometries for Protein- Ligand Docking
weitere Teilnehmer: Birte Seebeck
2007, 21. Jan - 24. Jan
European Conference on Computational Biology 2006, Eilat, Israel
weitere Teilnehmer: Tim Harder

2006

2006, 12. Nov - 14. Nov
2nd German Conference on Chemoinformatics, Goslar
01.01.1970, 01:00poster: A fast and versatile method for scaffold hopping based on small molecule crystal structure conformations
01.01.1970, 01:00talk: About Screening and Searching: Novel Computational Approaches to Structure-Based Design
weitere Teilnehmer: Patrick Maaß, Matthias Rarey, Birte Seebeck
2006, 19. Sep - 22. Sep
German Conference on Bioinformatics 2006, Tübingen
01.01.1970, 01:00talk: CRoMA Computational Reconstruction of Macromolecular Assemblies A Geometric Hashing Approach
weitere Teilnehmer: Axel Griewel
2006, 10. Sep - 14. Sep
232nd ACS National Meeting, San Francisco, USA
01.01.1970, 01:00talk: 2 D Visualization and Constraint- Driven Enumeration of Chemical Fragment Spaces
weitere Teilnehmer: Juri Pärn
2006, 10. Sep - 17. Sep
EURO QSAR 2006, Civitavecchia, IT
01.01.1970, 01:00poster: HYDE: Towards an integrated description of desolvation, hydrophobic effect and H-bonding
01.01.1970, 01:00poster: Poseview- Protein-Ligand Interactions at First Sight
01.01.1970, 01:00talk: Structure-Based Molecular Indexing: Virtual Screening beyond Molecular Docking
weitere Teilnehmer: Matthias Rarey, Ingo Reulecke, Katrin Schöning-Stierand
2006, 06. Sep - 08. Sep
MPG-Koc-Workshop, Istanbul
01.01.1970, 01:00talk: FlexNovo - Structure-Based Searching in Large Fragment Spaces
weitere Teilnehmer: Jörg Degen
2006, 08. May - 09. May
Heidelberger Innovationsforum 2006, Heidelberg
08.05.2006, 15:30talk: Neue Methoden für Virtuelles Screening TrixX Indextechnologien
weitere Teilnehmer: Matthias Rarey
2006, 26. Mar - 30. Mar
231st ACS National Meeting, Atlanta, USA
01.01.1970, 01:00talk: FlexNovo -Structure-Based Searching
weitere Teilnehmer: Jörg Degen
2006, 23. Mar - 01. Apr
Keystone Symposia, Whistler, CAN
01.01.1970, 01:00talk: FlexNovo - Structure-Based Searching in Large Fragment Spaces
weitere Teilnehmer: Jörg Degen

2005

2005, 13. Nov - 15. Nov
1st German Conference on Chemoinformatics, Goslar
01.01.1970, 01:00talk: Automated Structure Diagram Generation of Molecular Complexes
weitere Teilnehmer: Katrin Schöning-Stierand
2005, 05. Oct - 07. Oct
German Conference on Bioinformatics 2005, Hamburg
01.01.1970, 01:00poster: PoseView- Automated Structure Diagramm Generation of Molecular Complexes
weitere Teilnehmer: Katrin Schöning-Stierand
2005, 05. Jun - 09. Jun
7th International Conference on Chemical Structures, Noordwijkerhout,NL
01.01.1970, 01:00talk: FlexNovo - Structure-Based Searching in Large in chemestry spaces
01.01.1970, 01:00poster: Novel Tools for Scafford Replacement
weitere Teilnehmer: Jörg Degen, Patrick Maaß
2005, 03. May - 04. May
19. Darmstädter Modelling Workshop 2005, Erlangen
01.01.1970, 01:00talk: 2D Visualizing and Navigation in Fragment-Based Chemistry Spaces
weitere Teilnehmer: Juri Pärn
2005, 30. Mar
FBDD Wiesbaden 2005, Wiesbaden
01.01.1970, 01:00talk: Useful Tools and Algorythms for Fragement-Based Drug Discovery
weitere Teilnehmer: Matthias Rarey
2005, 21. Mar - 24. Mar
New Approaches in Drug Design and Discovery2005, Rauischholzhausen
01.01.1970, 01:00poster: FlexNovo - Structure-Based Searching in Large in chemestry spaces
01.01.1970, 01:00poster: 2D Visualizing and Navigation in Fragment-Based Chemistry Spaces
weitere Teilnehmer: Jörg Degen, Juri Pärn
2005, 21. Mar - 24. Mar
FBDD Rauischholzhausen 2005, Rauischholzhausen
01.01.1970, 01:00talk: Useful Tools and Algorythms for Fragement-Based Drug Discovery
weitere Teilnehmer: Matthias Rarey

2004

2004, 03. Nov - 05. Nov
1st Birlinghoven Symposium on "Computational Approaches to Virtual and Experimental Drug Screening" 2004, Sankt Augustin, Germany
weitere Teilnehmer: Matthias Rarey
2004, 04. Oct - 06. Oct
German Conference on Bioinformatics 2004
weitere Teilnehmer: Matthias Rarey
2004, 28. Sep
PhD course "Chemoinformatics" 2004, Copenhagen, Denmark
weitere Teilnehmer: Matthias Rarey
2004, 02. Jul - 03. Jul
Nanobiomedicine International Symposium 2004, Hamburg, Germany
03.07.2004, 10:45talk: Moving Nanotechnology from Bench to Bedside
weitere Teilnehmer: Matthias Rarey
2004, 18. May - 19. May
18.Darmstädter Molecular Modelling Workshop, Erlangen
01.01.1970, 01:00talk: Automated Drawing of Structural Molecular Formulas Under Constraints
weitere Teilnehmer: Patrick Maaß
2004, 21. Apr - 23. Apr
3rd Joint Sheffield Conference on Cheminformatics 2004, Sheffield, UK
weitere Teilnehmer: Matthias Rarey
2004, 28. Mar - 01. Apr
228th ACS NAtional Meeting, Anaheim,USA
01.01.1970, 01:00talk: FlexX-Scan: A fast structure-based screening tool
weitere Teilnehmer: Ingo Schellhammer
2004, 17. Mar
PhD & MIND course 2004, Copenhagen, Denmark
17.03.2004, 00:00talk: Drug Design and Discovery
weitere Teilnehmer: Matthias Rarey

2003

2003, 11. Nov - 13. Nov
European Research 2002, Brussels, Belgium
weitere Teilnehmer: Matthias Rarey
2003, 20. Jul - 25. Jul
GRC Computer-Aided Drug Design 2003, Tilton, USA
weitere Teilnehmer: Matthias Rarey
2003, 17. May - 20. May
32nd Annual Meeting Brazilian Society of Biochemistry and Molecular Biology 2003, Brazil
weitere Teilnehmer: Matthias Rarey
2003, 21. Apr - 23. Apr
2nd Sheffield Conference on Chemoinformatics 2003, Sheffield,UK
01.01.1970, 01:00talk: Automated Generation of Structural Molecular Formulas Under User-Defined Constraints
weitere Teilnehmer: Patrick Maaß
2003, 07. Apr
Tripos-Veranstaltung SYBYL/UNITY Line of Discovery Software Tools on HP Workstations and Servers
weitere Teilnehmer: Matthias Rarey

2002

2002, 11. Sep - 13. Sep
GPCVII Conference 2002, Southampton, UK
weitere Teilnehmer: Matthias Rarey
2002, 08. Sep - 13. Sep
EUROQSAR 2002, Bournemouth, UK
weitere Teilnehmer: Matthias Rarey
2002, 23. May - 02. Jun
From Genes to Drugs via Crystallography 2002, Erice, IT
01.01.1970, 01:00talk: FlexX – Methods, Usage, Applications
weitere Teilnehmer: Matthias Rarey