A pharmacophore docking algorithm and its application to the cross-docking of 18 HIV-NNRTI's in their binding pockets
- 19 December 2003
- journal article
- research article
- Published by Wiley in Proteins-Structure Function and Bioinformatics
- Vol. 54 (3) , 526-533
- https://doi.org/10.1002/prot.10599
Abstract
No abstract availableKeywords
This publication has 28 references indexed in Scilit:
- The Protein Data BankNucleic Acids Research, 2000
- Structures of Tyr188Leu mutant and wild-type HIV-1 reverse transcriptase complexed with the non-nucleoside inhibitor HBY 097: inhibitor flexibility is a useful design feature for reducing drug resistance 1 1Edited by J. KarnJournal of Molecular Biology, 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
- Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94Journal of Computational Chemistry, 1996
- Structure of HIV-1 RT/TIBO R 86183 complex reveals similarity in the binding of diverse nonnucleoside inhibitorsNature Structural & Molecular Biology, 1995
- A molecular mechanics/grid method for evaluation of ligand–receptor interactionsJournal of Computational Chemistry, 1995
- From atoms and bonds to three-dimensional atomic coordinates: automatic model buildersChemical Reviews, 1993
- Corner flapping: a simple and fast algorithm for exhaustive generation of ring conformationsJournal of the American Chemical Society, 1989
- A discussion of the solution for the best rotation to relate two sets of vectorsActa Crystallographica Section A, 1978