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Absolute Binding Free Energy Calculations for Highly Flexible Protein MDM2 and Its Inhibitors

Reliable prediction of binding affinities for ligand-receptor complex has been the primary goal of a structure-based drug design process. In this respect, alchemical methods are evolving as a popular choice to predict the binding affinities for biomolecular complexes. However, the highly flexible pr...

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Detalles Bibliográficos
Autores principales:	Singh, Nidhi, Li, Wenjin
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7369993/ https://www.ncbi.nlm.nih.gov/pubmed/32635537 http://dx.doi.org/10.3390/ijms21134765

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