A Simple QM/MM Approach for Capturing Polarization Effects...

Journal of Physical Chemistry B 2011 / 05 Vol. 115; Iss. 17

A Simple QM/MM Approach for Capturing Polarization Effects in Protein−Ligand Binding Free Energy Calculations

Beierlein, Frank R., Michel, Julien, Essex, Jonathan W.
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Volume:
115
Language:
english
Journal:
The Journal of Physical Chemistry B
DOI:
10.1021/jp109054j
Date:
May, 2011
File:
PDF, 1.24 MB
english, 2011
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