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Molecular dynamics simulations and drug discovery

This review discusses the many roles atomistic computer simulations of macromolecular (for example, protein) receptors and their associated small-molecule ligands can play in drug discovery, including the identification of cryptic or allosteric binding sites, the enhancement of traditional virtual-s...

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Detalles Bibliográficos
Autores principales:	Durrant, Jacob D, McCammon, J Andrew
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	BioMed Central 2011
Materias:	Review
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3203851/ https://www.ncbi.nlm.nih.gov/pubmed/22035460 http://dx.doi.org/10.1186/1741-7007-9-71

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