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Enhancing pairwise state-transition weights: A new weighting scheme in simulated tempering that can minimize transition time between a pair of conformational states.
Qiao, Qin; Zhang, Hou-Dao; Huang, Xuhui.
Afiliação
  • Qiao Q; Department of Chemistry, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong.
  • Zhang HD; Department of Chemistry, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong.
  • Huang X; Department of Chemistry, Division of Biomedical Engineering, Center of Systems Biology and Human Health, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong.
J Chem Phys ; 144(15): 154107, 2016 Apr 21.
Article em En | MEDLINE | ID: mdl-27389209
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Algoritmos / Proteínas / Simulação de Dinâmica Molecular Idioma: En Ano de publicação: 2016 Tipo de documento: Article
Texto completo
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XML
PubMed Links
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Algoritmos / Proteínas / Simulação de Dinâmica Molecular Idioma: En Ano de publicação: 2016 Tipo de documento: Article