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Using Machine Learning to Analyze Molecular Dynamics Simulations of Biomolecules

The Journal of Physical Chemistry B(2025)10.1021/acs.jpcb.4c08824Source: DataRank Database

Using Machine Learning to Analyze Molecular Dynamics Simulations of Biomolecules is a research paper published in The Journal of Physical Chemistry B (2025). On theSindex it has a DataRank of 0. It has been cited 12 times.

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Open Access12 citations

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Enrichment:Funding (3 grants)OA: hybridTopics (17)IDs (PubMed, PMC)Annotations (1)

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Accessible (1/2)

Open Access

Interoperable (0/2)

Reusable (0/3)

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Authors (5)

Elisa Rheaume,Katie M. Kuo ORCID,Shina Caroline Lynn Kamerlin ORCID,James C. Gumbart ORCID,Alfie-Louise R. Brownless ORCID

Live enrichment

PubMed:40423571 PMC:PMC12147208

National Institutes of Health

Grant: T32GM142616

National Institutes of Health

Grant: 5T32GM142616-02

Integrative and Quantitative Biosciences Accelerated Training Environment

Wellcome Trust

hybridLicense: cc-by

publisherhttps://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.4c08824?ref=article_openPDF

publisherhttps://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.4c08824

repositoryhttps://www.ncbi.nlm.nih.gov/pmc/articles/12147208

Unpaywallhttps://doi.org/10.1021/acs.jpcb.4c08824

Europe_PMChttps://europepmc.org/articles/PMC12147208

Fields of Study

0206 medical engineering02 engineering and technology

MeSH Terms

HumansProtein BindingMolecular Dynamics SimulationSpike Glycoprotein, CoronavirusMachine LearningAngiotensin-Converting Enzyme 2SARS-CoV-2

Keywords

Machine LearningSARS-CoV-2Spike Glycoprotein, CoronavirusHumansAngiotensin-Converting Enzyme 2Molecular Dynamics SimulationArticleProtein Binding

Using Machine Learning to Analyze Molecular Dynamics Simulations of Biomolecules

FAIR Checklist

Authors (5)

Funding (3 grants)

Open Access

Topics

Annotations (Europe PMC)