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Binding Modes of Ligands Using Enhanced Sampling (BLUES): Rapid Decorrelation of Ligand Binding Modes via Nonequilibrium Candidate Monte Carlo.
Gill, Samuel C; Lim, Nathan M; Grinaway, Patrick B; Rustenburg, Ariën S; Fass, Josh; Ross, Gregory A; Chodera, John D; Mobley, David L.
Afiliação
  • Gill SC; Department of Chemistry , University of California , Irvine , California 92697, United States.
  • Lim NM; Department of Pharmaceutical Sciences , University of California , Irvine , California 92697, United States.
  • Grinaway PB; Graduate Program in Physiology, Biophysics, and Systems Biology , Weill Cornell Medical College , New York , New York 10065 , United States.
  • Rustenburg AS; Computational and Systems Biology Program , Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center , New York , New York 10065 , United States.
  • Fass J; Graduate Program in Physiology, Biophysics, and Systems Biology , Weill Cornell Medical College , New York , New York 10065 , United States.
  • Ross GA; Computational and Systems Biology Program , Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center , New York , New York 10065 , United States.
  • Chodera JD; Computational and Systems Biology Program , Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center , New York , New York 10065 , United States.
  • Mobley DL; Tri-Institutional PhD Program in Computational Biology and Medicine , New York , New York 10065 , United States.
J Phys Chem B ; 122(21): 5579-5598, 2018 05 31.
Article em En | MEDLINE | ID: mdl-29486559
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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Muramidase / Ligantes Idioma: En Ano de publicação: 2018 Tipo de documento: Article
Texto completo
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Assunto principal: Muramidase / Ligantes Idioma: En Ano de publicação: 2018 Tipo de documento: Article