Gerhard Klebe

Gerhard Klebe

Philipps Universität Marburg - Marburg / Germany
Medical and Health Sciences / Pharmacy & Pharmaceutical Sciences
AD Scientific Index ID: 1762669
Philipps University of Marburg
person_outline Gerhard Klebe's MOST POPULAR ARTICLES
1-) A fast flexible docking method using an incremental construction algorithmM Rarey, B Kramer, T Lengauer, G KlebeJournal of molecular biology 261 (3), 470-489, 199633631996
2-) Molecular similarity indices in a comparative analysis (CoMSIA) of drug molecules to correlate and predict their biological activityG Klebe, U Abraham, T MietznerJournal of medicinal chemistry 37 (24), 4130-4146, 199421651994
3-) PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulationsTJ Dolinsky, P Czodrowski, H Li, JE Nielsen, JH Jensen, G Klebe, ...Nucleic acids research 35 (suppl_2), W522-W525, 200717872007
4-) Knowledge-based scoring function to predict protein-ligand interactionsH Gohlke, M Hendlich, G KlebeJournal of molecular biology 295 (2), 337-356, 200015022000
5-) Approaches to the description and prediction of the binding affinity of small‐molecule ligands to macromolecular receptorsH Gohlke, G KlebeAngewandte Chemie International Edition 41 (15), 2644-2676, 200211092002