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...
Guardado en:
Autores principales: | Hongtao Zhao, Danzhi Huang |
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Formato: | article |
Lenguaje: | EN |
Publicado: |
Public Library of Science (PLoS)
2011
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Materias: | |
Acceso en línea: | https://doaj.org/article/83d6805e84254319b283d33d762beb2a |
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