Evaluation of docking/scoring approaches: A comparative study based on MMP3 inhibitors
- 1 January 2000
- journal article
- research article
- Published by Springer Nature in Journal of Computer-Aided Molecular Design
- Vol. 14 (5) , 435-448
- https://doi.org/10.1023/a:1008137707965
Abstract
An increasing number of docking/scoring programs are available that use different sampling and scoring algorithms. A reliable scoring function is the crucial element of such approaches. Comparative...Keywords
This publication has 27 references indexed in Scilit:
- Knowledge-based scoring function to predict protein-ligand interactionsJournal of Molecular Biology, 2000
- A General and Fast Scoring Function for Protein−Ligand Interactions: A Simplified Potential ApproachJournal of Medicinal Chemistry, 1999
- Solution structures of stromelysin complexed to thiadiazole inhibitorsProtein Science, 1998
- Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. CohenJournal of Molecular Biology, 1997
- A Fast Flexible Docking Method using an Incremental Construction AlgorithmJournal of Molecular Biology, 1996
- Hammerhead: fast, fully automated docking of flexible ligands to protein binding sitesChemistry & Biology, 1996
- A preference-based free-energy parameterization of enzyme-inhibitor binding. Applications to HIV-1-protease inhibitor designProtein Science, 1995
- Structure-Based Strategies for Drug Design and DiscoveryScience, 1992
- Calculation of conformational ensembles from potentials of mena forceJournal of Molecular Biology, 1990
- A geometric approach to macromolecule-ligand interactionsJournal of Molecular Biology, 1982