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Dynamic Docking: A Paradigm Shift in Computational Drug Discovery

Molecular docking is the methodology of choice for studying in silico protein-ligand binding and for prioritizing compounds to discover new lead candidates. Traditional docking simulations suffer from major limitations, mostly related to the static or semi-flexible treatment of ligands and targets....

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Detalles Bibliográficos
Autores principales:	Gioia, Dario, Bertazzo, Martina, Recanatini, Maurizio, Masetti, Matteo, Cavalli, Andrea
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2017
Materias:	Review
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6150405/ https://www.ncbi.nlm.nih.gov/pubmed/29165360 http://dx.doi.org/10.3390/molecules22112029

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