Your browser doesn't support javascript.
loading
Machine Learning-Driven Multiscale Modeling: Bridging the Scales with a Next-Generation Simulation Infrastructure.
Ingólfsson, Helgi I; Bhatia, Harsh; Aydin, Fikret; Oppelstrup, Tomas; López, Cesar A; Stanton, Liam G; Carpenter, Timothy S; Wong, Sergio; Di Natale, Francesco; Zhang, Xiaohua; Moon, Joseph Y; Stanley, Christopher B; Chavez, Joseph R; Nguyen, Kien; Dharuman, Gautham; Burns, Violetta; Shrestha, Rebika; Goswami, Debanjan; Gulten, Gulcin; Van, Que N; Ramanathan, Arvind; Van Essen, Brian; Hengartner, Nicolas W; Stephen, Andrew G; Turbyville, Thomas; Bremer, Peer-Timo; Gnanakaran, S; Glosli, James N; Lightstone, Felice C; Nissley, Dwight V; Streitz, Frederick H.
Afiliação
  • Ingólfsson HI; Physical and Life Sciences (PLS) Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550, United States.
  • Bhatia H; Computing Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550, United States.
  • Aydin F; Physical and Life Sciences (PLS) Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550, United States.
  • Oppelstrup T; Physical and Life Sciences (PLS) Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550, United States.
  • López CA; Theoretical Biology and Biophysics Group, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States.
  • Stanton LG; Department of Mathematics and Statistics, San José State University, San José, California 95192, United States.
  • Carpenter TS; Physical and Life Sciences (PLS) Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550, United States.
  • Wong S; Physical and Life Sciences (PLS) Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550, United States.
  • Di Natale F; Computing Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550, United States.
  • Zhang X; Physical and Life Sciences (PLS) Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550, United States.
  • Moon JY; Computing Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550, United States.
  • Stanley CB; Computational Sciences and Engineering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, United States.
  • Chavez JR; Computing Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550, United States.
  • Nguyen K; Theoretical Biology and Biophysics Group, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States.
  • Dharuman G; Physical and Life Sciences (PLS) Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550, United States.
  • Burns V; Theoretical Biology and Biophysics Group, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States.
  • Shrestha R; RAS Initiative, The Cancer Research Technology Program, Frederick National Laboratory, Frederick, Maryland 21701, United States.
  • Goswami D; RAS Initiative, The Cancer Research Technology Program, Frederick National Laboratory, Frederick, Maryland 21701, United States.
  • Gulten G; RAS Initiative, The Cancer Research Technology Program, Frederick National Laboratory, Frederick, Maryland 21701, United States.
  • Van QN; RAS Initiative, The Cancer Research Technology Program, Frederick National Laboratory, Frederick, Maryland 21701, United States.
  • Ramanathan A; Computing, Environment & Life Sciences (CELS) Directorate, Argonne National Laboratory, Lemont, Illinois 60439, United States.
  • Van Essen B; Computing Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550, United States.
  • Hengartner NW; Theoretical Biology and Biophysics Group, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States.
  • Stephen AG; RAS Initiative, The Cancer Research Technology Program, Frederick National Laboratory, Frederick, Maryland 21701, United States.
  • Turbyville T; RAS Initiative, The Cancer Research Technology Program, Frederick National Laboratory, Frederick, Maryland 21701, United States.
  • Bremer PT; Computing Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550, United States.
  • Gnanakaran S; Theoretical Biology and Biophysics Group, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States.
  • Glosli JN; Physical and Life Sciences (PLS) Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550, United States.
  • Lightstone FC; Physical and Life Sciences (PLS) Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550, United States.
  • Nissley DV; RAS Initiative, The Cancer Research Technology Program, Frederick National Laboratory, Frederick, Maryland 21701, United States.
  • Streitz FH; Physical and Life Sciences (PLS) Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550, United States.
J Chem Theory Comput ; 19(9): 2658-2675, 2023 May 09.
Article em En | MEDLINE | ID: mdl-37075065
Assuntos
Texto completo
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Simulação de Dinâmica Molecular / Proteínas de Membrana Idioma: En Revista: J Chem Theory Comput Ano de publicação: 2023 Tipo de documento: Article País de afiliação: Estados Unidos
Texto completo
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Simulação de Dinâmica Molecular / Proteínas de Membrana Idioma: En Revista: J Chem Theory Comput Ano de publicação: 2023 Tipo de documento: Article País de afiliação: Estados Unidos