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Non‐Covalent Molecular Interaction Rules to Define Internal Dimer Coordinates for Quantum Mechanical Potential Energy Scans

Journal of Computational Chemistry(2025)10.1002/jcc.70136Source: DataRank Database

Non‐Covalent Molecular Interaction Rules to Define Internal Dimer Coordinates for Quantum Mechanical Potential Energy Scans is a research paper published in Journal of Computational Chemistry (2025). On theSindex it has a DataRank of 0.

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datarank_citation_only_1hop_v6· scope data_onlyMethodology

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Enrichment:Funding (3 grants)Impact (FWCI 0.00)OA: hybridTopics (26)IDs (PubMed, 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 (3)

Anmol Kumar ORCID,Alexander D. MacKerell ORCID,Suliman Sharif ORCID

Live enrichment

PubMed:40377454 OpenAlex:https://openalex.org/W4410422639

National Institute of General Medical Sciences

Grant: R35 GM131710

National Institutes of Health

Grant: 5R35GM131710-02

Macromolecular Conformational Heterogeneity

Fundação para a Ciência e a Tecnologia, I.P.

Grant: PTDC/MHC-LIN/3901/2014

Horizon21: Early language development in Down Syndrome

FWCI

0.00

Citation Percentile

0.1%

hybridLicense: cc-by-nc-nd

journalhttps://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/jcc.70136

publisherhttps://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/jcc.70136

publisherhttps://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.70136

journalhttps://doi.org/10.1002/jcc.70136

repositoryhttps://pubmed.ncbi.nlm.nih.gov/40377454

Fields of Study

Crystallography and molecular interactionsMachine Learning in Materials ScienceAdvanced Chemical Physics Studies0103 physical sciences01 natural sciences

Keywords

van der Waals forceInteraction energyMonomerChemistryOrientation (vector space)WorkflowChemical physicsDimerMolecular dynamicsComputational chemistryAb initioSet (abstract data type)Computer scienceStatistical physicsMoleculePhysicsMathematicsDatabaseGeometryPolymerResearch Article

Sustainable Development Goals

SDG 0: Affordable and clean energy