Fajer, Mikolai

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