Structure and free energy of complex thermodynamic systems
- 1 October 1988
- journal article
- Published by Elsevier in Journal of Molecular Structure: THEOCHEM
- Vol. 179 (1) , 333-352
- https://doi.org/10.1016/0166-1280(88)80133-7
Abstract
No abstract availableThis publication has 45 references indexed in Scilit:
- Monte Carlo recursion evaluation of free energyThe Journal of Physical Chemistry, 1988
- Monte Carlo-minimization approach to the multiple-minima problem in protein folding.Proceedings of the National Academy of Sciences, 1987
- Free Energy Calculations by Computer SimulationScience, 1987
- Monte Carlo simulation of differences in free energies of hydrationThe Journal of Chemical Physics, 1985
- Intermolecular potentials from crystal data. 6. Determination of empirical potentials for O-H...O = C hydrogen bonds from packing configurationsThe Journal of Physical Chemistry, 1984
- CHARMM: A program for macromolecular energy, minimization, and dynamics calculationsJournal of Computational Chemistry, 1983
- Energy parameters in polypeptides. 9. Updating of geometrical parameters, nonbonded interactions, and hydrogen bond interactions for the naturally occurring amino acidsThe Journal of Physical Chemistry, 1983
- AMBER: Assisted model building with energy refinement. A general program for modeling molecules and their interactionsJournal of Computational Chemistry, 1981
- Energy parameters in polypeptides. VII. Geometric parameters, partial atomic charges, nonbonded interactions, hydrogen bond interactions, and intrinsic torsional potentials for the naturally occurring amino acidsThe Journal of Physical Chemistry, 1975
- Equation of State Calculations by Fast Computing MachinesThe Journal of Chemical Physics, 1953