Asset Detail:
RAS Protein Molecular Dynamics Simulations
Asset Detail:
RAS Protein Molecular Dynamics Simulations
Overview
| ASSET LINK: | https://modac.cancer.gov/assetDetails?dme_data_id=NCI-DME-MS01-5111417 |
| PROGRAM NAME: | NCI-DOE Collaboration |
| STUDY NAME: | NCI-DOE-Collaboration ADMIRRAL project: Improving Outcomes for RAS-related Cancers |
| ASSET NAME: | RAS Protein Molecular Dynamics Simulations |
| ASSET PATH: | /NCI_DOE_Archive/JDACS4C/JDACS4C_Pilot_2/lanl_ras_molecular_dynamics_simulations |
Asset Attributes
| ATTRIBUTE | VALUE |
|---|---|
| ASSET NAME | RAS Protein Molecular Dynamics Simulations |
| ASSET DESCRIPTION | 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. |
| ASSET IDENTIFIER | lanl_ras_molecular_dynamics_simulations |
| ASSET TYPE | Dataset |
| DOI | 10.25583/1669350 |
| IS REFERENCE DATASET | No |
| COLLECTION SIZE | 1.1 TB |
| PUBLICATIONS | C. Neale and A.E. Garcia, “The plasma membrane as a competitive inhibitor and positive allosteric modulator of KRas4B signaling”, Biophysical Journal, 2020, 118(5): 1129-1141. |
Asset Files
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| FILE/COLLECTION | FILE SIZE | ACTIONS |
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