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Protein-Protein Docking with Dynamic Residue Protonation States

Protein-protein interactions depend on a host of environmental factors. Local pH conditions influence the interactions through the protonation states of the ionizable residues that can change upon binding. In this work, we present a pH-sensitive docking approach, pHDock, that can sample side-chain p...

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Publicat a:PLoS Comput Biol
Autors principals: Kilambi, Krishna Praneeth, Reddy, Kavan, Gray, Jeffrey J.
Format: Artigo
Idioma:Inglês
Publicat: Public Library of Science 2014
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC4263365/
https://ncbi.nlm.nih.gov/pubmed/25501663
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pcbi.1004018
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