Using multistate free energy techniques to improve the efficiency of replica exchange accelerated molecular dynamics. [electronic resource]
- Journal of computational chemistry Aug 2009
- 1719-25 p. digital
Publication Type: Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't; Research Support, U.S. Gov't, Non-P.H.S.
1096-987X
10.1002/jcc.21285 doi
Butanes--chemistry Computer Simulation Models, Chemical Molecular Conformation Thermodynamics