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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 process dynamics, whic...

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Dettagli Bibliografici
Pubblicato in:Int J Mol Sci
Autori principali: Sánchez-Aparicio, José-Emilio, Sciortino, Giuseppe, Herrmannsdoerfer, Daniel Viladrich, Chueca, Pablo Orenes, Pedregal, Jaime Rodríguez-Guerra, Maréchal, Jean-Didier
Natura: Artigo
Lingua:Inglês
Pubblicazione: MDPI 2019
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC6651367/
https://ncbi.nlm.nih.gov/pubmed/31261636
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ijms20133155
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