OpenMDlr Dataset
- Davidson, Russell B | Oak Ridge National Laboratory
- Sedova, Ada A | Oak Ridge National Laboratory
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
AC05-00OR22725Originating Research Organization
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)Sponsoring Organization
Office of Science (SC)Related Resources
- IsSupplementTo (DOI): https://doi.org/10.1093/bioinformatics/btac307
Details
DOI
10.13139/ORNLNCCS/1866593Release Date
May 12, 2022Dataset
Dataset Type
ND Numeric DataAcknowledgements
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