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Predicting the Conformational Variability of Abl Tyrosine Kinase using Molecular Dynamics Simulations and Markov State Models.
Meng, Yilin; Gao, Cen; Clawson, David K; Atwell, Shane; Russell, Marijane; Vieth, Michal; Roux, Benoît.
Afiliação
  • Meng Y; Department of Biochemistry and Molecular Biology , University of Chicago , Chicago , Illinois 60637 , United States.
  • Gao C; Discovery Chemistry Research and Technologies , Eli Lilly and Company , Lilly Corporate Center, Indianapolis , Indiana 46285 , United States.
  • Clawson DK; Discovery Chemistry Research and Technologies , Eli Lilly and Company , Lilly Corporate Center, Indianapolis , Indiana 46285 , United States.
  • Atwell S; Applied Molecular Evolution , Eli Lilly and Company , Lilly Biotechnology Center, 10290 Campus Point Drive , San Diego , California 92121 , United States.
  • Russell M; Discovery Chemistry Research and Technologies , Eli Lilly and Company , Lilly Biotechnology Center, 10290 Campus Point Drive , San Diego , California 92121 , United States.
  • Vieth M; Discovery Chemistry Research and Technologies , Eli Lilly and Company , Lilly Biotechnology Center, 10290 Campus Point Drive , San Diego , California 92121 , United States.
  • Roux B; Department of Biochemistry and Molecular Biology , University of Chicago , Chicago , Illinois 60637 , United States.
J Chem Theory Comput ; 14(5): 2721-2732, 2018 May 08.
Article em En | MEDLINE | ID: mdl-29474075
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Proteínas Proto-Oncogênicas c-abl / Simulação de Dinâmica Molecular Tipo de estudo: Health_economic_evaluation / Prognostic_studies / Risk_factors_studies Idioma: En Ano de publicação: 2018 Tipo de documento: Article
Texto completo
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Proteínas Proto-Oncogênicas c-abl / Simulação de Dinâmica Molecular Tipo de estudo: Health_economic_evaluation / Prognostic_studies / Risk_factors_studies Idioma: En Ano de publicação: 2018 Tipo de documento: Article