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GPU‐specific algorithms for improved solute sampling in grand canonical Monte Carlo simulations

Journal of Computational Chemistry(2023)10.1002/jcc.27121Source: DataRank Database

GPU‐specific algorithms for improved solute sampling in grand canonical Monte Carlo simulations is a research paper published in Journal of Computational Chemistry (2023). On theSindex it has a DataRank of 0. It has been cited 10 times.

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Open Access10 citations

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datarank_citation_only_1hop_v6· scope data_onlyMethodology

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Enrichment:Funding (1 grants)Impact (FWCI 2.53)OA: bronzeTopics (20)IDs (PubMed, PMC, OpenAlex)Annotations (1)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 (6)

Abhishek A. Kognole ORCID,Sunhwan Jo ORCID,Aoxiang Tao ORCID,Anthony Hazel ORCID,Alexander D. MacKerell ORCID

Live enrichment

PubMed:37093676 PMC:PMC10330275 OpenAlex:https://openalex.org/W4366822674

National Institutes of Health

Grant: R35GM131710

FWCI

2.53

Citation Percentile

0.9%

Citation Trend

2023

2024

2025

2026

bronzeLicense: http://onlinelibrary.wiley.com/termsAndConditions#vor

journalhttps://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/jcc.27121

publisherhttps://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/jcc.27121

publisherhttps://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.27121

journalhttps://doi.org/10.1002/jcc.27121

repositoryhttps://pubmed.ncbi.nlm.nih.gov/37093676

Fields of Study

Markov Chains and Monte Carlo MethodsNMR spectroscopy and applicationsAdvanced NMR Techniques and Applications

Keywords

Monte Carlo methodComputer scienceSampling (signal processing)Statistical physicsAlgorithmHybrid Monte CarloGrand canonical ensembleComputational scienceMarkov chain Monte CarloPhysicsMathematicsStatisticscomputer-aided drug designChemical PotentialSilcsEnhanced Solute SamplingCo-solvent Molecular Dynamics

Sustainable Development Goals

SDG 0: Clean water and sanitation

GPU‐specific algorithms for improved solute sampling in grand canonical Monte Carlo simulations

FAIR Checklist

Authors (6)

Funding (1 grants)

Impact

Open Access

Topics

Annotations (Europe PMC)