Auszeichnungen
2023
Justin Lübbers, Peter Willett Award for Outstanding Poster Presentation: Calculating More Property Distributions of Chemical Fragment Spaces, Sheffield Conference on Cheminformatics
2022
Uschi Dolfus, Research Telegram Award: Synthesis-Aware Generation of Structural Analogs, GDCh
Emanuel S.R. Ehmki, Poster Award: Towards the fully automated Cross-Linking of PDB and ChEMBL, GDCh
Sophia Hönig, CIC-Award for Computational Chemistry for her Master's thesis: Convex Optimization of Matched Molecular Series Networks and its Applications to Machine Learning, GDCh
2020
Norddeutscher Wissenschaftspreis für das Projekt "Data Science in Hamburg - Helmholtz Graduate School for the Structure of Matters (DASHH)"
2018
Jochen Sieg, CiC-Award for his master's thesis: Evaluation of Benchmark Datasets for Virtual Screening with Machine Learning, GDCh
Emanuel S.R. Ehmki, Poster-Award, Poster: Automatic Generation of 3D-MMPs from PDB and ChEMBL, German Conference on Chemoinformatics, Mainz
2016
Dr. Stefan Bietz, CiC-Award for his dissertation: Methoden zur computergestützten Generierung und Aufbereitung von Strukturensembles für Proteinbindetaschen, GDCh
2015
Eva Nittinger, Lecture-Award, Talk: Protein-Ligand Interaction Preferences: An Evaluation of Actual vs. Possible Hydrogen Bonds, Young Modellers Forum, London, UK
Karen T. Schomburg, Stefan Bietz, Poster-Award, Poster: Interactively mining discriminative patterns, German Conference on Chemoinformatics, Fulda
Eva Nittinger, Lecture-Award, Talk: EDIA – A New Estimate of Electron Density of Individual Atoms for Validating Water Molecules, Molecular Modelling Workshop, Erlangen
2014
Stefan Bietz, Poster-Award, Poster: Discriminative Chemical Patterns: Automatic and Interactive Design, German Conference on Chemoinformatics, ICCS, Noordwijkerhout, NL
2012
Lennart Heinzerling, Poster-Award, Poster: Minimizing protein-ligand complexes in the blink of an eye, German Conference on Chemoinformatics, Goslar
Christin Schärfer, CINF Scholarship for Scientific Excellence, für die Entwicklung des Torsion Fingerprint Deviation, ACS Philadelphia
2011
Angela Henzler, Poster-Award, Poster: A Flexible-hydrogen Interaction Model for Proteinligand Docking, German Conference on Chemoinformatics, Goslar
Eva Vennmann, Junior Price, Talk: Discrimination of Permanent and Transient Heterodimers: The Real Challenge in the Classification of Protein-Protein Interactions, GCB, Weihenstephan
Matthias Rarey and Karen Schomburg, ACS Emerging Technologies Award, Talk: Visual chemical patterns: SMART(s) to look at, ACS Fall Conference, Denver
2010
Andrea Volkamer, Poster-Award, Poster: Automatically predicted subpockets pave the way for descriptor-based druggability studies, Euro-QSAR, Rhodos
Karen Schomburg, FIZ Chemie Berlin Preis, Master thesis: Visualization of Molecular Subgraph Patterns / Using the Example of SMARTS Expressions, German Conference on Chemoinformatics, Goslar
2009
Andrea Volkamer, Poster-Award, Poster: Where are the boundaries? Automated pocket detection for druggability studies, German Conference on Chemoinformatics, Goslar
Katrin Stierand, 2nd Poster-Award, Poster: Pose View - Molecular Interaction Patterns at a glance, German Conference on Chemoinformatics, Goslar
2008
Tobias Lippert, Lecture Award, Talk: Fast Optimization of Hydrogen Bond / Networks in Protein-Ligand Complexes, Molecular Modelling Workshop, Erlangen
2007
Ole Kayser, FIZ Chemie Berlin Preis, Diploma thesis: Efficient Methods for the Generation of Bioactive Conformers of Small Molecules, German Conference on Chemoinformatics, Goslar
Jörg Degen, Poster-Award, Poster: "FlexNovo II: Improved Models and Search Methods for Fragment Spaces", German Conference on Chemoinformatics, Goslar
2006
Birte Seebeck, FIZ Chemie Berlin Preis, Diploma thesis: Modellierung von Metall-Wechselwirkungsgeometrien für das Protein-Ligand Docking Problem, German Conference on Chemoinformatics, Goslar
2005
Matthias Rarey, Corwin Hansch Award der QSAR and Modelling Society
2002
Matthias Rarey, NRW-Wissenschaftspreis, Habilitationsschrift: Algorithmen für den Computergestützten Wirkstoffentwurf, Wissenschaftszentrum NRW und Industrie-Club Düsseldorf