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Grand canonical Monte Carlo and deep learning assisted enhanced sampling to characterize the distribution of Mg2+ and influence of the Drude polarizable force field on the stability of folded states of the twister ribozyme

The Journal of Chemical Physics(2024)10.1063/5.0241246Source: DataRank Database

Grand canonical Monte Carlo and deep learning assisted enhanced sampling to characterize the distribution of Mg2+ and influence of the Drude polarizable force field on the stability of folded states of the twister ribozyme is a research paper published in The Journal of Chemical Physics (2024). On theSindex it has a DataRank of 0. It has been cited 8 times.

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Enrichment:Funding (4 grants)Impact (FWCI 1.49)OA: greenTopics (41)IDs (PubMed, PMC, OpenAlex)Annotations (1)

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Findable (1/2)

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Accessible (1/2)

Open Access

Interoperable (0/2)

Reusable (0/3)

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Authors (3)

Mert Y. Sengul ORCID,Alexander D. MacKerell ORCID,Prabin Baral ORCID

Live enrichment

PubMed:39665326 PMC:PMC11646137 OpenAlex:https://openalex.org/W4405330393

National Institutes of Health

Grant: R35 GM131710

National Institutes of Health

Grant: T32 AI195190

NIAID NIH HHS

Grant: T32 AI095190

National Institutes of Health

Grant: 5R35GM131710-02

Macromolecular Conformational Heterogeneity

FWCI

1.49

Citation Percentile

0.8%

Citation Trend

2025

2026

greenLicense: CC BY NC ND

repositoryhttps://pmc.ncbi.nlm.nih.gov/articles/PMC11646137/

publisherhttps://pubs.aip.org/aip/jcp/article-pdf/doi/10.1063/5.0241246/20294978/225102_1_5.0241246.pdf

journalhttps://doi.org/10.1063/5.0241246

repositoryhttps://pubmed.ncbi.nlm.nih.gov/39665326

Fields of Study

RNA and protein synthesis mechanismsDNA and Nucleic Acid ChemistryProtein Structure and Dynamics0301 basic medicine03 medical and health sciences0103 physical sciences01 natural sciencesMagnesiumMonte Carlo MethodRNA, CatalyticMolecular Dynamics SimulationDeep LearningNucleic Acid Conformation

MeSH Terms

Deep LearningMagnesiumMonte Carlo MethodNucleic Acid ConformationRNA, CatalyticMolecular Dynamics Simulation

Keywords

PolarizabilityMolecular dynamicsDipoleStatistical physicsChemical physicsForce field (fiction)Monte Carlo methodStability (learning theory)ChemistryComputational chemistryPhysicsComputer scienceMoleculeQuantum mechanicsMathematicsMachine learningARTICLESDeep LearningNucleic Acid ConformationMagnesiumRNA, CatalyticMolecular Dynamics Simulation

Grand canonical Monte Carlo and deep learning assisted enhanced sampling to characterize the distribution of Mg2+ and influence of the Drude polarizable force field on the stability of folded states of the twister ribozyme

FAIR Checklist

Authors (3)

Funding (4 grants)

Impact

Open Access

Topics

Annotations (Europe PMC)