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The Role of Molecular Dynamics Potential of Mean Force Calculations in the Investigation of Enzyme Catalysis

Y Yang1, L Pan2, F C Lightstone1

  • 1Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, CA, United States.

Methods in Enzymology
|August 9, 2016
PubMed

Keywords:
Molecular dynamicsPotential of mean forceQuantum mechanics/molecular mechanicsSteered MDUmbrella sampling

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