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Fast automated placement of polar hydrogen atoms in protein-ligand complexes

BACKGROUND: Hydrogen bonds play a major role in the stabilization of protein-ligand complexes. The ability of a functional group to form them depends on the position of its hydrogen atoms. An accurate knowledge of the positions of hydrogen atoms in proteins is therefore important to correctly identi...

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Detalhes bibliográficos
Main Authors: Lippert, Tobias, Rarey, Matthias
Formato: Artigo
Idioma:Inglês
Publicado em: Springer 2009
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3225823/
https://ncbi.nlm.nih.gov/pubmed/20298519
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1758-2946-1-13
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