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Identification of HIV Inhibitors Guided by Free Energy Perturbation Calculations

Free energy perturbation (FEP) theory coupled to molecular dynamics (MD) or Monte Carlo (MC) statistical mechanics offers a theoretically precise method for determining the free energy differences of related biological inhibitors. Traditionally requiring extensive computational resources and experti...

Disgrifiad llawn

Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Prif Awduron: Acevedo, Orlando, Ambrose, Zandrea, Flaherty, Patrick T., Aamer, Hadega, Jain, Prashi, Sambasivarao, Somisetti V.
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: 2012
Pynciau:
Mynediad Ar-lein:https://ncbi.nlm.nih.gov/pmc/articles/PMC3605731/
https://ncbi.nlm.nih.gov/pubmed/22316150
Tagiau: Ychwanegu Tag
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