Impact of protein–ligand solvation and desolvation on transition state thermodynamic properties of adenosine A(2A) ligand binding kinetics

Ligand–protein binding kinetic rates are growing in importance as parameters to consider in drug discovery and lead optimization. In this study we analysed using surface plasmon resonance (SPR) the transition state (TS) properties of a set of six adenosine A(2A) receptor inhibitors, belonging to bot...

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Bibliographic Details
Published in:In Silico Pharmacol
Main Authors: Deganutti, Giuseppe, Zhukov, Andrei, Deflorian, Francesca, Federico, Stephanie, Spalluto, Giampiero, Cooke, Robert M., Moro, Stefano, Mason, Jonathan S., Bortolato, Andrea
Format: Artigo
Language:Inglês
Published: Springer Berlin Heidelberg 2017
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Original Research
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC5755719/
https://ncbi.nlm.nih.gov/pubmed/29308352
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s40203-017-0037-x
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