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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...
Autores principales: | Sánchez-Aparicio, José-Emilio, Sciortino, Giuseppe, Herrmannsdoerfer, Daniel Viladrich, Chueca, Pablo Orenes, Pedregal, Jaime Rodríguez-Guerra, Maréchal, Jean-Didier |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6651367/ https://www.ncbi.nlm.nih.gov/pubmed/31261636 http://dx.doi.org/10.3390/ijms20133155 |
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