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Computational development of rubromycin-based lead compounds for HIV-1 reverse transcriptase inhibition

The binding of several rubromycin-based ligands to HIV1-reverse transcriptase was analyzed using molecular docking and molecular dynamics simulations. MM-PBSA analysis and examination of the trajectories allowed the identification of several promising compounds with predicted high affinity towards r...

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Detalles Bibliográficos
Autores principales:	Bernardo, Carlos E.P., Silva, Pedro J.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	PeerJ Inc. 2014
Materias:	Biochemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4103094/ https://www.ncbi.nlm.nih.gov/pubmed/25071993 http://dx.doi.org/10.7717/peerj.470

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