Electrostatic Complementarity as a Fast and Effective Tool to Optimize Binding and Selectivity of Protein-Ligand Complexes

Electrostatic interactions between small molecules and their respective receptors are essential for molecular recognition and are also key contributors to the binding free energy. Assessing the electrostatic match of protein-ligand complexes therefore provides important insights into why ligands bin...

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Bibliographic Details

Published in:	Journal of medicinal chemistry Vol. 62; no. 6; p. 3036
Main Authors:	Bauer, Matthias R, Mackey, Mark D
Format:	Journal Article
Language:	English
Published:	United States 28.03.2019
Subjects:	Drug Design Ligands Protein Binding Proteins - chemistry Static Electricity Structure-Activity Relationship
ISSN:	1520-4804, 1520-4804
Online Access:	Get more information
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