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w-REXAMD: A Hamiltonian Replica Exchange Approach to Improve Free Energy Calculations for Systems with Kinetically Trapped Conformations
Arrar, Mehrnoosh, de Oliveira, Cesar Augusto F., Fajer, Mikolai, Sinko, William, McCammon, J. AndrewVolume:
9
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct300896h
Date:
January, 2013
File:
PDF, 2.08 MB
english, 2013