Using multistate free energy techniques to improve the efficiency of replica exchange accelerated molecular dynamics.
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
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