A new class of models for computing receptor-ligand binding affinities
- 1 January 1997
- journal article
- review article
- Published by Elsevier in Chemistry & Biology
- Vol. 4 (2) , 87-92
- https://doi.org/10.1016/s1074-5521(97)90251-9
Abstract
No abstract availableKeywords
This publication has 71 references indexed in Scilit:
- Merck molecular force field. V. Extension of MMFF94 using experimental data, additional computational data, and empirical rulesJournal of Computational Chemistry, 1996
- Merck molecular force field. IV. conformational energies and geometries for MMFF94Journal of Computational Chemistry, 1996
- Merck molecular force field. III. Molecular geometries and vibrational frequencies for MMFF94Journal of Computational Chemistry, 1996
- Merck molecular force field. II. MMFF94 van der Waals and electrostatic parameters for intermolecular interactionsJournal of Computational Chemistry, 1996
- Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94Journal of Computational Chemistry, 1996
- Finite representation of an infinite bulk system: Solvent boundary potential for computer simulationsThe Journal of Chemical Physics, 1994
- An Effective Solvation Term Based on Atomic Occupancies for Use in Protein SimulationsMolecular Simulation, 1993
- Solvation energy in protein folding and bindingNature, 1986
- CHARMM: A program for macromolecular energy, minimization, and dynamics calculationsJournal of Computational Chemistry, 1983
- Energy minimizations of rubredoxinJournal of Molecular Biology, 1980