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How Does a Drug Molecule Find its Target Binding Site?

Although the thermodynamic principles that control the binding of drug molecules to their protein targets are well understood, detailed experimental characterization of the process by which such binding occurs has proven challenging. We conducted relatively long, unguided molecular dynamics simulati...

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Detalhes bibliográficos
Main Authors: Shan, Yibing, Kim, Eric, Eastwood, Michael P., Dror, Ron O., Seeliger, Markus A., Shaw, David E.
Formato: Artigo
Idioma:Inglês
Publicado em: 2011
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3221467/
https://ncbi.nlm.nih.gov/pubmed/21545110
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja202726y
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