Pancreatic Ribonucleases Superfamily Dynamics

Agarwal, Pratul

doi:10.13139/OLCF/1361049

Title: Pancreatic Ribonucleases Superfamily Dynamics

Dataset
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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.

Authors:: Agarwal, Pratul

Publication Date:: Fri Jan 01 00:00:00 EST 2016

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:: https://doi.org/10.13139/OLCF/1361049

Citation Formats


                    Agarwal, Pratul. Pancreatic Ribonucleases Superfamily Dynamics.  United States: N. p., 2016. 
        Web.  doi:10.13139/OLCF/1361049.

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                    Agarwal, Pratul. Pancreatic Ribonucleases Superfamily Dynamics.  United States.  doi:https://doi.org/10.13139/OLCF/1361049

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                    Agarwal, Pratul. 2016.  
"Pancreatic Ribonucleases Superfamily Dynamics".  United States.  doi:https://doi.org/10.13139/OLCF/1361049.  https://www.osti.gov/servlets/purl/1361049. Pub date:Fri Jan 01 00:00:00 EST 2016

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@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         = {Fri Jan 01 00:00:00 EST 2016},

  month        = {Fri Jan 01 00:00:00 EST 2016}

}

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DOI: https://doi.org/10.13139/OLCF/1361049

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