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Development of Computational Approaches with a Fragment-Based Drug Design Strategy: In Silico Hsp90 Inhibitors Discovery

A semi-exhaustive approach and a heuristic search algorithm use a fragment-based drug design (FBDD) strategy for designing new inhibitors in an in silico process. A deconstruction reconstruction process uses a set of known Hsp90 ligands for generating new ones. The deconstruction process consists of...

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Detalles Bibliográficos
Autores principales:	León, Roberto, Soto-Delgado, Jorge, Montero, Elizabeth, Vargas, Matías
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8706391/ https://www.ncbi.nlm.nih.gov/pubmed/34948022 http://dx.doi.org/10.3390/ijms222413226

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