Comparison of Continuum and Explicit Models of Solvation: Potentials of Mean Force for Alanine Dipeptide
- 1 January 1996
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry
- Vol. 100 (5) , 1439-1441
- https://doi.org/10.1021/jp952835f
Abstract
No abstract availableKeywords
This publication has 12 references indexed in Scilit:
- Molecular dynamics simulation with a continuum electrostatic model of the solventJournal of Computational Chemistry, 1995
- Treatment of rotational isomeric states. III. The use of biasing potentialsThe Journal of Chemical Physics, 1994
- Bonding of Endohedral Atoms in Small Carbon FullerenesThe Journal of Physical Chemistry, 1994
- Solvation Free Energies Estimated from Macroscopic Continuum Theory: An Accuracy AssessmentThe Journal of Physical Chemistry, 1994
- Evaluation of the conformational free energies of loops in proteinsProteins-Structure Function and Bioinformatics, 1994
- Accurate Calculation of Hydration Free Energies Using Macroscopic Solvent ModelsThe Journal of Physical Chemistry, 1994
- Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian dynamics programComputer Physics Communications, 1991
- Theoretical investigation of the thermal ring opening of bicyclobutane to butadiene. Evidence for a nonsynchronous processJournal of the American Chemical Society, 1988
- Molecular dynamics with coupling to an external bathThe Journal of Chemical Physics, 1984
- Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanesJournal of Computational Physics, 1977