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Spatial Analysis and Quantification of the Thermodynamic Driving Forces in Protein-Ligand Binding: Binding Site Variability

The thermodynamic driving forces behind small molecule-protein binding are still not well understood, including the variability of those forces associated with different types of ligands in different binding pockets. To better understand these phenomena we calculate spatially resolved thermodynamic...

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Bibliografske podrobnosti
izdano v:J Am Chem Soc
Main Authors: Raman, E. Prabhu, MacKerell, Alexander D.
Format: Artigo
Jezik:Inglês
Izdano: 2015
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC4342289/
https://ncbi.nlm.nih.gov/pubmed/25625202
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja512054f
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