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Title: Pancreatic Ribonucleases Superfamily Dynamics

Abstract

This data set consists of molecular dynamics simulations based flexibility/dynamics derived for family members of pancreatic ribonucleases. The results are based on two independent 0.5 microsecond trajectories for each of the 23 members. The flexibility is computed at aggregation of first ten quasi-harmonic modes, and indicated in the temperature factor column of PDB (protein data bank) file format.

Creator(s)/Author(s):
Publication Date:
Product Type:
Dataset
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Univ. of Tennessee, Knoxville, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC); U.S. National Institutes of Health (NIH), National Institute of General Medical Sciences (NIGMS)
Subject:
59 BASIC BIOLOGICAL SCIENCES; 60 APPLIED LIFE SCIENCES
Keywords:
Protein dynamics; molecular simulations; enzymes; flexibility
OSTI Identifier:
1361049
DOI:
10.13139/OLCF/1361049

Citation Formats

Agarwal, Pratul. Pancreatic Ribonucleases Superfamily Dynamics. United States: N. p., 2016. Web. doi:10.13139/OLCF/1361049.
Agarwal, Pratul. Pancreatic Ribonucleases Superfamily Dynamics. United States. doi:10.13139/OLCF/1361049.
Agarwal, Pratul. 2016. "Pancreatic Ribonucleases Superfamily Dynamics". United States. doi:10.13139/OLCF/1361049. https://www.osti.gov/servlets/purl/1361049. Pub date:Fri Jan 01 00:00:00 EST 2016
@article{osti_1361049,
title = {Pancreatic Ribonucleases Superfamily Dynamics},
author = {Agarwal, Pratul},
abstractNote = {This data set consists of molecular dynamics simulations based flexibility/dynamics derived for family members of pancreatic ribonucleases. The results are based on two independent 0.5 microsecond trajectories for each of the 23 members. The flexibility is computed at aggregation of first ten quasi-harmonic modes, and indicated in the temperature factor column of PDB (protein data bank) file format.},
doi = {10.13139/OLCF/1361049},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2016},
month = {1}
}