GPathFinder: Identification of Ligand-Binding Pathways by a Multi-Objective Genetic Algorithm
Protein−ligand docking is a widely used method to generate solutions for the binding of a small molecule with its target in a short amount of time. However, these methods provide identification of physically sound protein−ligand complexes without a complete view of the binding pr...
Main Authors: | José-Emilio Sánchez-Aparicio, Giuseppe Sciortino, Daniel Viladrich Herrmannsdoerfer, Pablo Orenes Chueca, Jaime Rodríguez-Guerra Pedregal, Jean-Didier Maréchal |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2019-06-01
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Series: | International Journal of Molecular Sciences |
Subjects: | |
Online Access: | https://www.mdpi.com/1422-0067/20/13/3155 |
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