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Title: RAS Protein Molecular Dynamics Simulations

Abstract

This dataset contains 6401 files that describe parameters and other inputs for running molecular dynamics computer simulations of Ras proteins associated with a lipid-based cell membrane model in water, as well as resulting time-trajectories of atomic motion in these simulations. Specifically, the content includes: (a) 21 files containing generalized force field parameters, and (b) 22 files of similar format and content for each of 290 separate molecular dynamics simulations (22 ´ 290 = 6,380). The total size of this data set is 1.0 TB.

Authors:
ORCiD logo ; ORCiD logo
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Publication Date:
Other Number(s):
LA-UR-20-25197
DOE Contract Number:  
89233218CNA000001
Product Type:
Dataset
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA); National Institutes of Health (NIH)
Subject:
59 BASIC BIOLOGICAL SCIENCES
OSTI Identifier:
1669350
DOI:
https://doi.org/10.25583/1669350

Citation Formats

Neale, Christopher Andrew, and Garcia, Angel Enrique. RAS Protein Molecular Dynamics Simulations. United States: N. p., 2020. Web. doi:10.25583/1669350.
Neale, Christopher Andrew, & Garcia, Angel Enrique. RAS Protein Molecular Dynamics Simulations. United States. doi:https://doi.org/10.25583/1669350
Neale, Christopher Andrew, and Garcia, Angel Enrique. 2020. "RAS Protein Molecular Dynamics Simulations". United States. doi:https://doi.org/10.25583/1669350. https://www.osti.gov/servlets/purl/1669350. Pub date:Sat Aug 01 00:00:00 EDT 2020
@article{osti_1669350,
title = {RAS Protein Molecular Dynamics Simulations},
author = {Neale, Christopher Andrew and Garcia, Angel Enrique},
abstractNote = {This dataset contains 6401 files that describe parameters and other inputs for running molecular dynamics computer simulations of Ras proteins associated with a lipid-based cell membrane model in water, as well as resulting time-trajectories of atomic motion in these simulations. Specifically, the content includes: (a) 21 files containing generalized force field parameters, and (b) 22 files of similar format and content for each of 290 separate molecular dynamics simulations (22 ´ 290 = 6,380). The total size of this data set is 1.0 TB.},
doi = {10.25583/1669350},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

Works referencing / citing this record:

The Plasma Membrane as a Competitive Inhibitor and Positive Allosteric Modulator of KRas4B Signaling
journal, March 2020