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Computation of pH-Dependent Binding Free Energies

Protein-ligand binding accompanies changes in the surrounding electrostatic environments of the two binding partners and may lead to changes in protonation upon binding. In cases where the complex formation results in a net transfer of protons, the binding process is pH-dependent. However, conventio...

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Dades bibliogràfiques
Publicat a:Biopolymers
Autors principals: Kim, M. Olivia, McCammon, J. Andrew
Format: Artigo
Idioma:Inglês
Publicat: 2016
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC4623928/
https://ncbi.nlm.nih.gov/pubmed/26202905
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/bip.22702
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