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Mining flexible-receptor docking experiments to select promising protein receptor snapshots

BACKGROUND: Molecular docking simulation is the Rational Drug Design (RDD) step that investigates the affinity between protein receptors and ligands. Typically, molecular docking algorithms consider receptors as rigid bodies. Receptors are, however, intrinsically flexible in the cellular environment...

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Autori principali: Machado, Karina S, Winck, Ana T, Ruiz, Duncan DA, Norberto de Souza, Osmar
Natura: Artigo
Lingua:Inglês
Pubblicazione: BioMed Central 2010
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC3045799/
https://ncbi.nlm.nih.gov/pubmed/21210972
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1471-2164-11-S5-S6
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