OpenMM pipeline

OpenMM specifications


Unique identifier OMICS_14094
Name OpenMM
Software type Toolkit/Suite
Interface Command line interface
Restrictions to use None
Operating system Unix/Linux, Mac OS, Windows
Programming languages C++, Python
Computer skills Advanced
Version 7.1
Stability Stable
Maintained Yes



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  • person_outline Peter Eastman <>

Publications for OpenMM

OpenMM IN pipeline

PMCID: 5585393
PMID: 28874689
DOI: 10.1038/s41598-017-09654-8

[…] using ccd76 and a final candidate gets selected using statistical potentials of mean force. the sidechain modelling is inspired by scwrl477. a final energy minimization is performed using the openmm molecular mechanics library78. each model is annotated with the qs-score to the native structure and the set of features described in the text. to ensure an un-biased learning step, all models […]

OpenMM institution(s)
Department of Chemistry, Stanford University, Stanford, CA, USA; Department of Chemistry and Chemical Biology and BioMaPS Institute, Rutgers University, Piscataway, NJ, USA; Computational Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, New York, NY, USA; Counsyl Research, South San Francisco, CA, USA; Department of Chemistry, University of California, Davis, CA, USA; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, MD, USA; Department of Computer Science, Stanford University, Stanford, CA, USA
OpenMM funding source(s)
This was supported by the NIH Roadmap for Medical Research Grant U54 GM072970, NIH grant R01-GM062868, the Sloan Kettering Institute, NIH grant P30 CA008748, and Starr Foundation grant I8-A8-058.

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