A Novel Shape-Feature Based Approach to Virtual Library Screening
- 1 September 2002
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of Chemical Information and Computer Sciences
- Vol. 42 (5) , 1230-1240
- https://doi.org/10.1021/ci0255026
Abstract
No abstract availableKeywords
This publication has 15 references indexed in Scilit:
- Knowledge-based scoring function to predict protein-ligand interactionsJournal of Molecular Biology, 2000
- Molecular Recognition of Protein−Ligand Complexes: Applications to Drug DesignChemical Reviews, 1997
- Three-Dimensional Shape-Based Searching of Conformationally Flexible CompoundsJournal of Chemical Information and Computer Sciences, 1997
- Crystallographic determination of the structures of human α‐thrombin complexed with BMS‐186282 and BMS‐189090Protein Science, 1996
- Chemical Function Queries for 3D Database SearchJournal of Chemical Information and Computer Sciences, 1994
- Exploring molecular diversity with combinatorial shape librariesTrends in Biochemical Sciences, 1994
- Shape Complementarity at Protein/Protein InterfacesJournal of Molecular Biology, 1993
- Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteinsJournal of the American Chemical Society, 1988
- Docking flexible ligands to macromolecular receptors by molecular shapeJournal of Medicinal Chemistry, 1986
- Hydrogen-bond geometry in organic crystalsAccounts of Chemical Research, 1984