Computer simulations of ligand-protein binding with ensembles of protein conformations: A Monte Carlo study of HIV-1 protease binding energy landscapes
- 1 January 1999
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 72 (1) , 73-84
- https://doi.org/10.1002/(sici)1097-461x(1999)72:1<73::aid-qua7>3.0.co;2-o
Abstract
No abstract availableKeywords
This publication has 37 references indexed in Scilit:
- Ligand binding to proteins: The binding landscape modelProtein Science, 1997
- Molecular docking to ensembles of protein structures 1 1Edited by B. HonigJournal of Molecular Biology, 1997
- Protein conformational substates from X-ray crystallographyProgress in Biophysics and Molecular Biology, 1996
- Looking into the energy landscape of myoglobinNature Structural & Molecular Biology, 1995
- Complexity in proteinsNature Structural & Molecular Biology, 1995
- An Effective Solvation Term Based on Atomic Occupancies for Use in Protein SimulationsMolecular Simulation, 1993
- STRUCTURE-BASED INHIBITORS OF HIV-1 PROTEASEAnnual Review of Biochemistry, 1993
- Efficient Monte Carlo methods for the computer simulation of biological moleculesPhysical Review A, 1992
- Multiple Conformational States of Proteins: A Molecular Dynamics Analysis of MyoglobinScience, 1987
- The protein data bank: A computer-based archival file for macromolecular structuresJournal of Molecular Biology, 1977