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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Veröffentlicht in:	Journal of medicinal chemistry Jg. 62; H. 6; S. 3036
Hauptverfasser:	Bauer, Matthias R, Mackey, Mark D
Format:	Journal Article
Sprache:	Englisch
Veröffentlicht:	United States 28.03.2019
Schlagworte:	Drug Design Ligands Protein Binding Proteins - chemistry Static Electricity Structure-Activity Relationship
ISSN:	1520-4804, 1520-4804
Online-Zugang:	Weitere Angaben
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