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apoCHARMM: High-performance molecular dynamics simulations on GPUs for advanced simulation methods

The Journal of Chemical Physics(2025)10.1063/5.0264937Source: DataRank Database

apoCHARMM: High-performance molecular dynamics simulations on GPUs for advanced simulation methods is a research paper published in The Journal of Chemical Physics (2025). On theSindex it has a DataRank of 0. It has been cited 4 times.

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0DataRank · unranked

Scored on demand from live citation data

Open Access4 citations

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›Methodology & internals

datarank_citation_only_1hop_v6· scope data_onlyMethodology

Pipeline:MetadataData-paper checkEnrichmentCitation networkScoring

Enrichment:Funding (4 grants)Impact (FWCI 1.70)OA: hybridTopics (17)IDs (PubMed, PMC, OpenAlex)SDGs (1)

FAIR Checklist

Context only (not used in score)

Findable (1/2)

Has DOI

Accessible (1/2)

Open Access

Interoperable (0/2)

Reusable (0/3)

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Authors (4)

Felix Aviat,James E. Gonzales ORCID,Bernard R. Brooks ORCID,Samarjeet Prasad ORCID

Live enrichment

PubMed:40341929 PMC:PMC12074570 OpenAlex:https://openalex.org/W4410240590

National Heart, Lung, and Blood Institute

Grant: ZIA HL001050

National Institute of General Medical Sciences

Grant: R01GM127723

National Institutes of Health

Grant: 1ZIAHL001050-25

Molecular Dynamics Simulations Of Biological Macromolecules

National Institutes of Health

Grant: 5R01GM127723-02

Structure and functional dynamics of virus-host protein interactions

FWCI

1.70

Citation Percentile

0.8%

Citation Trend

2025

2026

hybridLicense: cc-by-nc-nd

journalhttps://doi.org/10.1063/5.0264937

publisherhttps://doi.org/10.1063/5.0264937

publisherhttps://pubs.aip.org/aip/jcp/article-pdf/doi/10.1063/5.0264937/20516566/182501_1_5.0264937.pdf

repositoryhttps://pubmed.ncbi.nlm.nih.gov/40341929

repositoryhttps://www.ncbi.nlm.nih.gov/pmc/articles/12074570

Fields of Study

Protein Structure and DynamicsAdvanced NMR Techniques and ApplicationsNanopore and Nanochannel Transport Studies

Keywords

Computer scienceReplicaMolecular dynamicsCUDAComputational scienceComputationGraphics processing unitHamiltonian (control theory)Parallel computingChemistryAlgorithmComputational chemistryMathematicsSoftware

Sustainable Development Goals

SDG 0: Affordable and clean energy