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Machine learning-driven multiscale modeling reveals lipid-dependent dynamics of RAS signaling proteins.
Ingólfsson, Helgi I; Neale, Chris; Carpenter, Timothy S; Shrestha, Rebika; López, Cesar A; Tran, Timothy H; Oppelstrup, Tomas; Bhatia, Harsh; Stanton, Liam G; Zhang, Xiaohua; Sundram, Shiv; Di Natale, Francesco; Agarwal, Animesh; Dharuman, Gautham; Kokkila Schumacher, Sara I L; Turbyville, Thomas; Gulten, Gulcin; Van, Que N; Goswami, Debanjan; Jean-Francois, Frantz; Agamasu, Constance; Chen, De; Hettige, Jeevapani J; Travers, Timothy; Sarkar, Sumantra; Surh, Michael P; Yang, Yue; Moody, Adam; Liu, Shusen; Van Essen, Brian C; Voter, Arthur F; Ramanathan, Arvind; Hengartner, Nicolas W; Simanshu, Dhirendra K; Stephen, Andrew G; Bremer, Peer-Timo; Gnanakaran, S; Glosli, James N; Lightstone, Felice C; McCormick, Frank; Nissley, Dwight V; Streitz, Frederick H.
Afiliación
  • Ingólfsson HI; Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, CA 94550.
  • Neale C; Theoretical Biology and Biophysics Group, Los Alamos National Laboratory, Los Alamos, NM 87545.
  • Carpenter TS; Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, CA 94550.
  • Shrestha R; RAS Initiative, The Cancer Research Technology Program, Frederick National Laboratory, Frederick, MD 21701.
  • López CA; Theoretical Biology and Biophysics Group, Los Alamos National Laboratory, Los Alamos, NM 87545.
  • Tran TH; RAS Initiative, The Cancer Research Technology Program, Frederick National Laboratory, Frederick, MD 21701.
  • Oppelstrup T; Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, CA 94550.
  • Bhatia H; Computing Directorate, Lawrence Livermore National Laboratory, Livermore, CA 94550.
  • Stanton LG; Department of Mathematics and Statistics, San José State University, San José, CA 95192.
  • Zhang X; Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, CA 94550.
  • Sundram S; Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, CA 94550.
  • Di Natale F; Computing Directorate, Lawrence Livermore National Laboratory, Livermore, CA 94550.
  • Agarwal A; Theoretical Biology and Biophysics Group, Los Alamos National Laboratory, Los Alamos, NM 87545.
  • Dharuman G; Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, CA 94550.
  • Kokkila Schumacher SIL; Data Centric Systems, IBM T. J. Watson Research Center, Yorktown Heights, NY 10598.
  • Turbyville T; RAS Initiative, The Cancer Research Technology Program, Frederick National Laboratory, Frederick, MD 21701.
  • Gulten G; RAS Initiative, The Cancer Research Technology Program, Frederick National Laboratory, Frederick, MD 21701.
  • Van QN; RAS Initiative, The Cancer Research Technology Program, Frederick National Laboratory, Frederick, MD 21701.
  • Goswami D; RAS Initiative, The Cancer Research Technology Program, Frederick National Laboratory, Frederick, MD 21701.
  • Jean-Francois F; RAS Initiative, The Cancer Research Technology Program, Frederick National Laboratory, Frederick, MD 21701.
  • Agamasu C; RAS Initiative, The Cancer Research Technology Program, Frederick National Laboratory, Frederick, MD 21701.
  • Chen; RAS Initiative, The Cancer Research Technology Program, Frederick National Laboratory, Frederick, MD 21701.
  • Hettige JJ; Theoretical Biology and Biophysics Group, Los Alamos National Laboratory, Los Alamos, NM 87545.
  • Travers T; Theoretical Biology and Biophysics Group, Los Alamos National Laboratory, Los Alamos, NM 87545.
  • Sarkar S; Center for Nonlinear Studies, Los Alamos National Laboratory, Los Alamos, NM 87545.
  • Surh MP; Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, CA 94550.
  • Yang Y; Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, CA 94550.
  • Moody A; Computing Directorate, Lawrence Livermore National Laboratory, Livermore, CA 94550.
  • Liu S; Computing Directorate, Lawrence Livermore National Laboratory, Livermore, CA 94550.
  • Van Essen BC; Computing Directorate, Lawrence Livermore National Laboratory, Livermore, CA 94550.
  • Voter AF; Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545.
  • Ramanathan A; Computing, Environment & Life Sciences Directorate, Argonne National Laboratory, Lemont, IL 60439.
  • Hengartner NW; Theoretical Biology and Biophysics Group, Los Alamos National Laboratory, Los Alamos, NM 87545.
  • Simanshu DK; RAS Initiative, The Cancer Research Technology Program, Frederick National Laboratory, Frederick, MD 21701.
  • Stephen AG; RAS Initiative, The Cancer Research Technology Program, Frederick National Laboratory, Frederick, MD 21701.
  • Bremer PT; Computing Directorate, Lawrence Livermore National Laboratory, Livermore, CA 94550.
  • Gnanakaran S; Theoretical Biology and Biophysics Group, Los Alamos National Laboratory, Los Alamos, NM 87545.
  • Glosli JN; Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, CA 94550.
  • Lightstone FC; Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, CA 94550.
  • McCormick F; RAS Initiative, The Cancer Research Technology Program, Frederick National Laboratory, Frederick, MD 21701; frank.mccormick@ucsf.edu nissleyd@mail.nih.gov streitz1@llnl.gov.
  • Nissley DV; Helen Diller Family Comprehensive Cancer Center, University of California, San Francisco, CA 94115.
  • Streitz FH; RAS Initiative, The Cancer Research Technology Program, Frederick National Laboratory, Frederick, MD 21701; frank.mccormick@ucsf.edu nissleyd@mail.nih.gov streitz1@llnl.gov.
Proc Natl Acad Sci U S A ; 119(1)2022 01 04.
Article en En | MEDLINE | ID: mdl-34983849
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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Transducción de Señal / Membrana Celular / Proteínas Proto-Oncogénicas p21(ras) / Multimerización de Proteína / Simulación de Dinámica Molecular / Aprendizaje Automático / Lípidos Tipo de estudio: Prognostic_studies Límite: Humans Idioma: En Revista: Proc Natl Acad Sci U S A Año: 2022 Tipo del documento: Article
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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Transducción de Señal / Membrana Celular / Proteínas Proto-Oncogénicas p21(ras) / Multimerización de Proteína / Simulación de Dinámica Molecular / Aprendizaje Automático / Lípidos Tipo de estudio: Prognostic_studies Límite: Humans Idioma: En Revista: Proc Natl Acad Sci U S A Año: 2022 Tipo del documento: Article