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Toward prediction of functional protein pockets using blind docking and pocket search algorithms

Location of functional binding pockets of bioactive ligands on protein molecules is essential in structural genomics and drug design projects. If the experimental determination of ligand-protein complex structures is complicated, blind docking (BD) and pocket search (PS) calculations can help in the...

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Detalhes bibliográficos
Main Authors: Hetényi, Csaba, van der Spoel, David
Formato: Artigo
Idioma:Inglês
Publicado em: Wiley Subscription Services, Inc., A Wiley Company 2011
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3125872/
https://ncbi.nlm.nih.gov/pubmed/21413095
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/pro.618
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