Matthias Rarey
Universität Hamburg(DE)
Publications by Year
Research Areas
Computational Drug Discovery Methods, Protein Structure and Dynamics, Enzyme Structure and Function, Microbial Natural Products and Biosynthesis, Machine Learning in Materials Science
Most-Cited Works
- → A Fast Flexible Docking Method using an Incremental Construction Algorithm(1996)2,797 cited
- → Evaluation of the FLEXX incremental construction algorithm for protein-ligand docking(1999)894 cited
- → Computational methods for biomolecular docking(1996)825 cited
- → On the Art of Compiling and Using 'Drug‐Like' Chemical Fragment Spaces(2008)596 cited
- → DoGSiteScorer: a web server for automatic binding site prediction, analysis and druggability assessment(2012)574 cited
- → Detailed Analysis of Scoring Functions for Virtual Screening(2001)490 cited
- → Combining Global and Local Measures for Structure-Based Druggability Predictions(2011)484 cited
- → FlexE: efficient molecular docking considering protein structure variations(2001)427 cited
- → Molecular complexes at a glance: automated generation of two-dimensional complex diagrams(2006)423 cited
- → X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease(2021)358 cited