w-REXAMD: A Hamiltonian Replica Exchange Approach to Improve Free Energy Calculations for Systems with Kinetically Trapped Conformations

Published 2012 View Full Article

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Title
w-REXAMD: A Hamiltonian Replica Exchange Approach to Improve Free Energy Calculations for Systems with Kinetically Trapped Conformations
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 9, Issue 1, Pages 18-23
Publisher
American Chemical Society (ACS)
Online
2012-12-04
DOI
10.1021/ct300896h

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