Tuning Local Hydration Enables a Deeper Understanding of Protein–Ligand Binding: The PP1-Src Kinase Case

[Image: see text] Water plays a key role in biomolecular recognition and binding. Despite the development of several computational and experimental approaches, it is still challenging to comprehensively characterize water-mediated effects on the binding process. Here, we investigate how water affect...

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Bibliographic Details
Published in:J Phys Chem Lett
Main Authors: Spitaleri, Andrea, Zia, Syeda R., Di Micco, Patrizio, Al-Lazikani, Bissan, Soler, Miguel A., Rocchia, Walter
Format: Artigo
Language:Inglês
Published: American Chemical Society 2020
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC7812613/
https://ncbi.nlm.nih.gov/pubmed/33300337
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpclett.0c03075
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