Hydrogen bonding penalty upon ligand binding.

Ligand binding involves breakage of hydrogen bonds with water molecules and formation of new hydrogen bonds between protein and ligand. In this work, the change of hydrogen bonding energy in the binding process, namely hydrogen bonding penalty, is evaluated with a new method. The hydrogen bonding pe...

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Bibliographic Details
Main Authors: Hongtao Zhao, Danzhi Huang
Format: article
Language:EN
Published: Public Library of Science (PLoS) 2011
Subjects:
R
Q
Online Access:https://doaj.org/article/83d6805e84254319b283d33d762beb2a
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