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Tuning Potential Functions to Host–Guest Binding Data

Journal of Chemical Theory and Computation(2023)10.1021/acs.jctc.3c01050Source: DataRank Database

Tuning Potential Functions to Host–Guest Binding Data is a research paper published in Journal of Chemical Theory and Computation (2023). On theSindex it has a DataRank of 0. It has been cited 9 times.

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Open Access9 citations

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datarank_citation_only_1hop_v6· scope data_onlyMethodology

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Enrichment:Funding (4 grants)Impact (FWCI 0.83)OA: greenTopics (52)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 (8)

Simon Boothroyd ORCID,David R. Slochower ORCID,David Dotson ORCID,Matthew W. Thompson ORCID,Jeffrey Wagner ORCID

Live enrichment

PubMed:38147689 PMC:PMC10838530 OpenAlex:https://openalex.org/W4390223349

National Institute of General Medical Sciences

Grant: R01GM061300

National Institute of General Medical Sciences

Grant: R01GM132386

National Institutes of Health

Grant: 5R01GM132386-03

Open data-driven infrastructure for building biomolecular force fields for predictive biophysics and drug design

National Institutes of Health

Grant: 2R01GM061300-14

Theory and Modeling of Noncovalent Binding

FWCI

0.83

Citation Percentile

0.7%

Citation Trend

2023

2024

2025

greenLicense: CC BY

repositoryhttps://escholarship.org/content/qt2ts1v38g/qt2ts1v38g.pdf

publisherhttps://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c01050

repositoryhttps://escholarship.org/uc/item/2ts1v38g

journalhttps://doi.org/10.1021/acs.jctc.3c01050

Fields of Study

Protein Structure and DynamicsSpectroscopy and Quantum Chemical StudiesComputational Drug Discovery MethodsMedicineChemistryComputer Science01 natural sciences0104 chemical sciences0103 physical sciencesLigandsProteinsSoftwareProtein BindingSolventsThermodynamicsMolecular Dynamics Simulation

MeSH Terms

LigandsProtein BindingProteinsSoftwareSolventsThermodynamicsMolecular Dynamics Simulation

Keywords

Binding affinitiesAffinitiesHost (biology)Computer scienceForce field (fiction)Field (mathematics)Set (abstract data type)Biological systemChemistryArtificial intelligenceBiologyMathematicsChemical PhysicsProteinsMolecular Dynamics Simulation540Ligands620Computer SoftwareMedicinal and Biomolecular ChemistryPhysical chemistryTheoretical and Computational ChemistryChemical SciencesSolventsThermodynamicsGeneric health relevanceBiochemistry and Cell BiologySoftwareProtein Binding

Sustainable Development Goals

SDG 0: Industry, innovation and infrastructure

Tuning Potential Functions to Host–Guest Binding Data

FAIR Checklist

Authors (8)

Funding (4 grants)

Impact

Open Access

Topics

Annotations (Europe PMC)