![](/img/cover-not-exists.png)
An approach to the application of free energy perturbation methods using molecular dynamics: applications to the transformations of methanol .fwdarw. ethane, oxonium .fwdarw. ammonium, glycine .fwdarw. alanine, and alanine .fwdarw. phenylalanine in aqueous solution and to H3O+(H2O)3 .fwdarw. NH4+(H2O)3 in the gas phase
Singh, U. C., Brown, Frank K., Bash, Paul A., Kollman, Peter A.Volume:
109
Language:
english
Journal:
Journal of the American Chemical Society
DOI:
10.1021/ja00240a001
Date:
March, 1987
File:
PDF, 1012 KB
english, 1987