Evidence map›Paper›PMID 28746339›Full record

ArticlePLoS computational biology2017

OpenMM 7: Rapid development of high performance algorithms for molecular dynamics.

Peter Eastman, Jason Swails, John D Chodera, Robert T McGibbon, Yutong Zhao, Kyle A Beauchamp, Lee-Ping Wang, Andrew C Simmonett, Matthew P Harrigan, Chaya D Stern and 3 more

Abstract read
In one paragraph

Article in PLoS computational biology, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1,369 papers.

0numbers the graph read from it
0cells of the map it votes in
1,369citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

1,369 citing papers in PubMed.

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  4. Tyrosine phosphorylation unfolds nucleophosmin and disrupts its integration into the nucleolus.Proceedings of the National Academy of Sciences of the United States of America · 2026
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  6. A structure-aware generative AI framework for revealing functional relationships in protein families.Proceedings of the National Academy of Sciences of the United States of America · 2026
    Article
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  16. Antibody-drug conjugate engineering: from design to efficacy and safety.Signal transduction and targeted therapy · 2026
    Review
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1,309 more citing papers are in PubMed but not listed here.

4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

13 authors.

Peter EastmanDepartment of Chemistry, Stanford University, Stanford, California, United States of America.ORCID http://orcid.org/0000-0002-9566-9684
Jason SwailsDepartment of Chemistry and Chemical Biology and BioMaPS Institute, Rutgers University, Piscataway, New Jersey, United States of America.
John D ChoderaComputational and Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, New York, New York, United States of America.ORCID http://orcid.org/0000-0003-0542-119X
Robert T McGibbonDepartment of Chemistry, Stanford University, Stanford, California, United States of America.ORCID http://orcid.org/0000-0003-3337-954X
Yutong ZhaoDepartment of Chemistry, Stanford University, Stanford, California, United States of America.
Kyle A BeauchampComputational and Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, New York, New York, United States of America.
Lee-Ping WangDepartment of Chemistry, University of California, Davis, Davis, California, United States of America.
Andrew C SimmonettLaboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, Maryland, United States of America.ORCID http://orcid.org/0000-0002-5921-9272
Matthew P HarriganDepartment of Chemistry, Stanford University, Stanford, California, United States of America.ORCID http://orcid.org/0000-0001-9412-0553
Chaya D SternComputational and Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, New York, New York, United States of America.
Rafal P WiewioraComputational and Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, New York, New York, United States of America.ORCID http://orcid.org/0000-0002-8961-7183
Bernard R BrooksLaboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, Maryland, United States of America.
Vijay S PandeDepartment of Chemistry, Stanford University, Stanford, California, United States of America.

Funding

X-RAY CRYSTALLOGRAPHYP30CA008748 · NCI · SLOAN-KETTERING INSTITUTE FOR CANCER RES · PI Nicholas D Socci · 1985 to 2026
$347.4M
Physics-based Simulation of Biological Structures(RMI)U54GM072970 · NIGMS · STANFORD UNIVERSITY · PI ALTMAN, RUSS BIAGIO · 2004 to 2013
$33.5M
Development Of Advanced Computer Hardware And SoftwareZIHHL001052 · NHLBI · NATIONAL HEART, LUNG, AND BLOOD INSTITUTE · PI BROOKS, BERNARD R · 2009 to 2025
$12.2M
Topology, nucleation, and the protein folding barrierR01GM062868 · NIGMS · STANFORD UNIVERSITY · PI PANDE, VIJAY S · 2002 to 2018
$5.5M
NCI NIH HHS P30 CA008748NIGMS NIH HHS R01 GM062868NIGMS NIH HHS U54 GM072970
6 · The paper itself

Abstract

OpenMM is a molecular dynamics simulation toolkit with a unique focus on extensibility. It allows users to easily add new features, including forces with novel functional forms, new integration algorithms, and new simulation protocols. Those features automatically work on all supported hardware types (including both CPUs and GPUs) and perform well on all of them. In many cases they require minimal coding, just a mathematical description of the desired function. They also require no modification to OpenMM itself and can be distributed independently of OpenMM. This makes it an ideal tool for researchers developing new simulation methods, and also allows those new methods to be immediately available to the larger community.

Indexed as

AlgorithmsMolecular Dynamics SimulationSoftwareComputational Biology

Identifiers

PMID28746339
PMCPMC5549999

What OpenQuestion holds

Textmetadata
LicenceCC0
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.