Hybrid QM/MM vs Pure MM Molecular Dynamics for Evaluating...

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Hybrid QM/MM vs Pure MM Molecular Dynamics for Evaluating Water Distribution within p21 N-ras and the Resulting GTP Electronic Density

Tichauer, Ruth Helena, Favre, Gilles, Cabantous, Stéphanie, Brut, Marie
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Language:
english
Journal:
The Journal of Physical Chemistry B
DOI:
10.1021/acs.jpcb.9b02660
Date:
April, 2019
File:
PDF, 3.78 MB
english, 2019
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