Improved Ligand-Protein Binding Affinity Predictions Using Multiple Binding Modes
- 1 June 2010
- journal article
- Published by Elsevier in Biophysical Journal
- Vol. 98 (11) , 2682-2691
- https://doi.org/10.1016/j.bpj.2010.02.034
Abstract
No abstract availableKeywords
This publication has 56 references indexed in Scilit:
- Towards the development of universal, fast and highly accurate docking/scoring methods: a long way to goBritish Journal of Pharmacology, 2008
- Flexible ligand docking to multiple receptor conformations: a practical alternativePublished by Elsevier ,2008
- A new method for ligand docking to flexible receptors by dual alanine scanning and refinement (SCARE)Journal of Computer-Aided Molecular Design, 2008
- Ligand Binding to the Voltage-Gated Kv1.5 Potassium Channel in the Open State—Docking and Computer Simulations of a Homology ModelBiophysical Journal, 2008
- Structural basis for ligand promiscuity in cytochrome P450 3A4Proceedings of the National Academy of Sciences, 2006
- FlexE: efficient molecular docking considering protein structure variationsJournal of Molecular Biology, 2001
- Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. CohenJournal of Molecular Biology, 1997
- GROMACS: A message-passing parallel molecular dynamics implementationComputer Physics Communications, 1995
- Molecular recognition of receptor sites using a genetic algorithm with a description of desolvationJournal of Molecular Biology, 1995
- Molecular dynamics with coupling to an external bathThe Journal of Chemical Physics, 1984