Uncertainty quantification in classical molecular dynamics.

Wan, Shunzhou; Sinclair, Robert C; Coveney, Peter V

Wan, Shunzhou; Sinclair, Robert C; Coveney, Peter V.

Afiliação

Wan S; Centre for Computational Science, University College London, Gordon Street, London WC1H 0AJ, UK.
Sinclair RC; Centre for Computational Science, University College London, Gordon Street, London WC1H 0AJ, UK.
Coveney PV; Centre for Computational Science, University College London, Gordon Street, London WC1H 0AJ, UK.

Philos Trans A Math Phys Eng Sci ; 379(2197): 20200082, 2021 May 17.

Article em En | MEDLINE | ID: mdl-33775140

Palavras-chave

free energy calculation; molecular dynamics simulation; uncertainty quantification

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Philos Trans A Math Phys Eng Sci Assunto da revista: BIOFISICA / ENGENHARIA BIOMEDICA Ano de publicação: 2021 Tipo de documento: Article País de afiliação: Reino Unido

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