A Simple QM/MM Approach for Capturing Polarization Effects in Protein−Ligand Binding Free Energy Calculations
Beierlein, Frank R., Michel, Julien, Essex, Jonathan W.Volume:
115
Langue:
english
Journal:
The Journal of Physical Chemistry B
DOI:
10.1021/jp109054j
Date:
May, 2011
Fichier:
PDF, 1.24 MB
english, 2011
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