OpenMDlr Dataset

Russell B Davidson | Oak Ridge National Laboratory

Ada A Sedova | Oak Ridge National Laboratory

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 Information

DOE Contract Number

AC05-00OR22725

Originating Research Organization

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

Sponsoring Organization

Office of Science (SC)

Related Works

IsSupplementTo (DOI): https://doi.org/10.1093/bioinformatics/btac307

Details

DOI

https://doi.org/10.13139/ORNLNCCS/1866593

Release Date

May 12, 2022

Subject

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

Keywords

Protein Structure Prediction

Dataset

Dataset Type

ND Numeric Data

Cite This Dataset:

Davidson, R., Sedova, A. (2022). OpenMDlr Dataset. Oak Ridge National Laboratory. https://doi.org/10.13139/ORNLNCCS/1866593.

Acknowledgements

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.