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OpenMDlr Dataset

  • Davidson, Russell B | Oak Ridge National Laboratory
  • Sedova, Ada A | Oak Ridge National Laboratory
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Overview

Description

Protein structure dataset created with OpenMDlr. Restraints applied to fold proteins into native-like conformations were obtained from a variety of methods; results from these different restraint sets are contained in respective subdirectories. Supplements OpenMDlr: Parallel, open-source tools for general protein structure modeling and refinement from pairwise distances (https://doi.org/10.1093/bioinformatics/btac307).

Funding resources

DOE contract number

34323020, 32112789

Originating research organization

Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring organization

Office of Science (SC)

Related resources

Details

DOI

10.13139/ORNLNCCS/1866593

Release date

May 12, 2022

Dataset

Dataset type

ND Numeric Data

Acknowledgements

Users should acknowledge the OLCF in all publications and presentations that speak to work performed on OLCF resources:

This work was carried out [in part] at Oak Ridge National Laboratory, managed by UT-Battelle, LLC for the U.S. Department of Energy under contract DE-AC05-00OR22725.

Category

  • 59 BASIC BIOLOGICAL SCIENCES,
  • 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS,
  • 74 ATOMIC AND MOLECULAR PHYSICS

Keywords

  • Protein Structure Prediction