The Filling Potential Method: A Method for Estimating the Free Energy Surface for Protein−Ligand Docking
- 1 November 2003
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry B
- Vol. 107 (47) , 13201-13210
- https://doi.org/10.1021/jp035478e
Abstract
No abstract availableThis publication has 42 references indexed in Scilit:
- Blume-Capel model approximated by a sequence of generalized Husimi treesPhysical Review E, 2002
- How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules?Journal of Computational Chemistry, 2000
- Ionic charging free energies: Spherical versus periodic boundary conditionsThe Journal of Chemical Physics, 1998
- Monte Carlo Study of the Effect of Pressure on Hydrophobic AssociationThe Journal of Physical Chemistry B, 1997
- Reproduction of the Potential of Mean Force by a Modified Solvent-Accessible Surface MethodThe Journal of Physical Chemistry, 1996
- Computational AlchemyAnnual Review of Physical Chemistry, 1992
- THE weighted histogram analysis method for free‐energy calculations on biomolecules. I. The methodJournal of Computational Chemistry, 1992
- Electrostatics of ion-ion interactions in solutionThe Journal of Physical Chemistry, 1989
- Solvation energy in protein folding and bindingNature, 1986
- Comparison of simple potential functions for simulating liquid waterThe Journal of Chemical Physics, 1983