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GPU-Accelerated Implementation of Constant-pH Molecular Dynamics in NAMD

Journal of Chemical Information and Modeling(2025)10.1021/acs.jcim.5c02162Source: DataRank Database

GPU-Accelerated Implementation of Constant-pH Molecular Dynamics in NAMD is a research paper published in Journal of Chemical Information and Modeling (2025). On theSindex it has a DataRank of 0. It has been cited 1 time.

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0DataRank · unranked

Scored on demand from live citation data

Open Access1 citations

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datarank_citation_only_1hop_v6· scope data_onlyMethodology

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Enrichment:Funding (5 grants)Impact (FWCI 0.38)OA: greenTopics (14)IDs (PubMed, PMC, OpenAlex)Annotations (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 (3)

Christophe Chipot ORCID,Benoı̂t Roux ORCID,Sarah Moe ORCID

Live enrichment

PubMed:41364919 PMC:PMC12756948 OpenAlex:https://openalex.org/W4417173824

National Science Foundation

Grant: MCB-2309048

U.S. Department of Health and Human Services

Grant: 1S10OD028655

U.S. Department of Health and Human Services

Grant: R35-GM152124

NIGMS NIH HHS

Grant: R35 GM152124

NIH HHS

Grant: S10 OD028655

FWCI

0.38

Citation Percentile

0.6%

Citation Trend

2026

greenLicense: https://doi.org/10.15223/policy-029

repositoryhttps://pmc.ncbi.nlm.nih.gov/articles/PMC12756948/

publisherhttps://pubs.acs.org/doi/pdf/10.1021/acs.jcim.5c02162

journalhttps://doi.org/10.1021/acs.jcim.5c02162

repositoryhttps://pubmed.ncbi.nlm.nih.gov/41364919

Fields of Study

Protein Structure and DynamicsSpectroscopy and Quantum Chemical StudiesEnzyme Structure and Function

MeSH Terms

Computer GraphicsHydrogen-Ion ConcentrationMonte Carlo MethodProtonsMolecular Dynamics Simulation

Keywords

SpeedupBenchmark (surveying)Molecular dynamicsRange (aeronautics)Monte Carlo methodQM/MM

GPU-Accelerated Implementation of Constant-pH Molecular Dynamics in NAMD

FAIR Checklist

Authors (3)

Funding (5 grants)

Impact

Open Access

Topics

Annotations (Europe PMC)