LAST: Latent Space-Assisted Adaptive Sampling for Protein Trajectories.

Tian, Hao; Jiang, Xi; Xiao, Sian; La Force, Hunter; Larson, Eric C; Tao, Peng

Tian, Hao; Jiang, Xi; Xiao, Sian; La Force, Hunter; Larson, Eric C; Tao, Peng.

Afiliação

Tian H; Department of Chemistry, Center for Research Computing, Center for Drug Discovery, Design, and Delivery (CD4), Southern Methodist University, Dallas, Texas75206, United States.
Jiang X; Department of Statistical Science, Southern Methodist University, Dallas, Texas75206, United States.
Xiao S; Department of Chemistry, Center for Research Computing, Center for Drug Discovery, Design, and Delivery (CD4), Southern Methodist University, Dallas, Texas75206, United States.
La Force H; Department of Chemistry, Center for Research Computing, Center for Drug Discovery, Design, and Delivery (CD4), Southern Methodist University, Dallas, Texas75206, United States.
Larson EC; Department of Computer Science, Southern Methodist University, Dallas, Texas75206, United States.
Tao P; Department of Chemistry, Center for Research Computing, Center for Drug Discovery, Design, and Delivery (CD4), Southern Methodist University, Dallas, Texas75206, United States.

J Chem Inf Model ; 63(1): 67-75, 2023 01 09.

Article em En | MEDLINE | ID: mdl-36472885

Assuntos

Simulação de Dinâmica Molecular; Proteínas; Proteínas/química; Conformação Proteica; Dobramento de Proteína

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Texto completo: 1 Bases de dados: MEDLINE Assunto principal: Proteínas / Simulação de Dinâmica Molecular Tipo de estudo: Prognostic_studies Idioma: En Revista: J Chem Inf Model Assunto da revista: INFORMATICA MEDICA / QUIMICA Ano de publicação: 2023 Tipo de documento: Article País de afiliação: Estados Unidos

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