Bluues_cplx: Electrostatics at Protein–Protein and Protein–Ligand Interfaces

Bluues_cplx: Electrostatics at Protein–Protein and Protein–Ligand Interfaces

(1) Background: Electrostatics plays a capital role in protein–protein and protein–ligand interactions. Implicit solvent models are widely used to describe electrostatics and complementarity at interfaces. Electrostatic complementarity at the interface is not trivial, involving surface potentials ra...

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Bibliographic Details
Main Authors: Miguel Angel Soler, Rayyan Bassem Adel Yakout, Ozge Ozkilinc, Gennaro Esposito, Walter Rocchia, Christian Klein, Federico Fogolari
Format: Article
Language:English
Published: MDPI AG 2025-01-01
Series:Molecules
Subjects:
bluues
electrostatics
protein
free energy
software
ligand
Online Access:https://www.mdpi.com/1420-3049/30/1/159
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