Bayesian-Inference-Driven Model Parametrization and Model Selection for 2CLJQ Fluid Models.

Madin, Owen C; Boothroyd, Simon; Messerly, Richard A; Fass, Josh; Chodera, John D; Shirts, Michael R

Madin, Owen C; Boothroyd, Simon; Messerly, Richard A; Fass, Josh; Chodera, John D; Shirts, Michael R.

Afiliação

Madin OC; Department of Chemical & Biological Engineering, University of Colorado Boulder, Boulder, Colorado 80309, United States.
Boothroyd S; Boothroyd Scientific Consulting Ltd., 71-75 Shelton Street, London, Greater London, United Kingdom, WC2H 9JQ.
Messerly RA; Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States.
Fass J; Tri-Institutional PhD Program in Computational Biology and Medicine, Weill Cornell Graduate School of Medical Sciences, New York, New York 10065, United States.
Chodera JD; Computational & Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, New York, New York 10065, United States.
Shirts MR; Department of Chemical & Biological Engineering, University of Colorado Boulder, Boulder, Colorado 80309, United States.

J Chem Inf Model ; 62(4): 874-889, 2022 02 28.

Article em En | MEDLINE | ID: mdl-35129974

Assuntos

Teorema de Bayes; Simulação por Computador; Método de Monte Carlo

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Teorema de Bayes Tipo de estudo: Health_economic_evaluation / Prognostic_studies Idioma: En Ano de publicação: 2022 Tipo de documento: Article

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