Combining experimental and simulation data of molecular processes via augmented Markov models.

Olsson, Simon; Wu, Hao; Paul, Fabian; Clementi, Cecilia; Noé, Frank

Olsson, Simon; Wu, Hao; Paul, Fabian; Clementi, Cecilia; Noé, Frank.

Afiliação

Olsson S; Department of Mathematics and Computer Science, Freie Universität Berlin, 14195 Berlin, Germany; simon.olsson@fu-berlin.de frank.noe@fu-berlin.de.
Wu H; Department of Mathematics and Computer Science, Freie Universität Berlin, 14195 Berlin, Germany.
Paul F; Department of Mathematics and Computer Science, Freie Universität Berlin, 14195 Berlin, Germany.
Clementi C; Center for Theoretical Biological Physics and Department of Chemistry, Rice University, Houston, TX 77005.
Noé F; Department of Mathematics and Computer Science, Freie Universität Berlin, 14195 Berlin, Germany; simon.olsson@fu-berlin.de frank.noe@fu-berlin.de.

Proc Natl Acad Sci U S A ; 114(31): 8265-8270, 2017 08 01.

Article em En | MEDLINE | ID: mdl-28716931

Assuntos

Cadeias de Markov; Modelos Moleculares; Simulação de Dinâmica Molecular; Ubiquitina/metabolismo; Dobramento de Proteína; Estrutura Secundária de Proteína/fisiologia; Termodinâmica

Palavras-chave

Markov state models; augmented Markov models; integrative structural biology; maximum entropy; molecular dynamics

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Modelos Moleculares / Cadeias de Markov / Ubiquitina / Simulação de Dinâmica Molecular Tipo de estudo: Health_economic_evaluation / Prognostic_studies Idioma: En Revista: Proc Natl Acad Sci U S A Ano de publicação: 2017 Tipo de documento: Article

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