Development of an all-atom force field for heterocycles. Properties of liquid pyridine and diazenes
Open Access
- 1 February 1998
- journal article
- Published by Elsevier BV in Journal of Molecular Structure: THEOCHEM
- Vol. 424 (1-2), 145-155
- https://doi.org/10.1016/s0166-1280(97)00237-6
Abstract
No abstract availableThis publication has 27 references indexed in Scilit:
- Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic LiquidsJournal of the American Chemical Society, 1996
- Viability of molecular modeling with pentium-based PCsJournal of Computational Chemistry, 1996
- Free energies of hydration for organic molecules from Monte Carlo simulationsPerspectives in Drug Discovery and Design, 1995
- A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic MoleculesJournal of the American Chemical Society, 1995
- Ligand—protein docking and rational drug designCurrent Opinion in Structural Biology, 1995
- Structure-based drug design: progress, results and challengesStructure, 1994
- Free energy calculations: Applications to chemical and biochemical phenomenaChemical Reviews, 1993
- OPLS potential functions for nucleotide bases. Relative association constants of hydrogen-bonded base pairs in chloroformJournal of the American Chemical Society, 1991
- Optimized intermolecular potential functions for liquid hydrocarbonsJournal of the American Chemical Society, 1984
- Comparison of simple potential functions for simulating liquid waterThe Journal of Chemical Physics, 1983