Pilot corpus: NIH-funded biomedical datasets. Any DOI can be scored on demand — network effects sharpen as coverage grows.

Exploring Binding Pockets in the Conformational States of the SARS-CoV-2 Spike Trimers for the Screening of Allosteric Inhibitors Using Molecular Simulations and Ensemble-Based Ligand Docking

International Journal of Molecular Sciences(2024)10.3390/ijms25094955Source: DataRank Database

Exploring Binding Pockets in the Conformational States of the SARS-CoV-2 Spike Trimers for the Screening of Allosteric Inhibitors Using Molecular Simulations and Ensemble-Based Ligand Docking is a research paper published in International Journal of Molecular Sciences (2024). On theSindex it has a DataRank of 0. It has been cited 6 times.

N/A

0DataRank · unranked

Scored on demand from live citation data

Open Access6 citations

Download PDF

Cite:

Linked data & code

gen pdb

DataRank reads this dataset's downstream impact straight off the citation graph — no black box, no proprietary weighting. How is this computed?

›Methodology & internals

datarank_citation_only_1hop_v6· scope data_onlyMethodology

Pipeline:MetadataData-paper checkEnrichmentCitation networkScoring

Enrichment:Funding (4 grants)Impact (FWCI 1.77)OA: goldTopics (52)IDs (PubMed, PMC, OpenAlex)Annotations (2)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)

FAIR checklist signals are shown for context only and do not affect DataRank scoring.

Run a calibrated FAIR evaluation for this paper →

We only score data papers we can read in full — never from an abstract alone.

Authors (2)

Gennady M. Verkhivker ORCID,Grace Gupta

Live enrichment

PubMed:38732174 PMC:PMC11084335 OpenAlex:https://openalex.org/W4396552912

National Institutes of Health

Grant: 1R01AI181600-01

National Institutes of Health

Grant: 6069-SC24-11

NIAID NIH HHS

Grant: R01 AI181600

NIH HHS

Grant: 1R01AI181600-01 and Subaward 6069-SC24-11

FWCI

1.77

Citation Percentile

0.9%

Citation Trend

2024

2025

2026

goldLicense: cc-by

journalhttps://www.mdpi.com/1422-0067/25/9/4955/pdf?version=1714561694

publisherhttps://www.mdpi.com/1422-0067/25/9/4955/pdf?version=1714561694

publisherhttps://www.mdpi.com/1422-0067/25/9/4955/pdf

journalhttps://doi.org/10.3390/ijms25094955

repositoryhttps://pubmed.ncbi.nlm.nih.gov/38732174

Fields of Study

Computational Drug Discovery MethodsSARS-CoV-2 and COVID-19 ResearchProtein Structure and DynamicsSpike Glycoprotein, CoronavirusMolecular Docking SimulationAllosteric RegulationAllosteric SiteSARS-CoV-2LigandsMolecular Dynamics SimulationHumansBinding SitesProtein BindingProtein ConformationAntiviral AgentsProtein MultimerizationMachine Learning

MeSH Terms

Machine LearningSARS-CoV-2Allosteric RegulationAllosteric SiteAntiviral AgentsBinding SitesHumansLigandsProtein BindingProtein ConformationProtein MultimerizationMolecular Dynamics SimulationMolecular Docking SimulationSpike Glycoprotein, Coronavirus

Keywords

Allosteric regulationAllosteric enzymeDocking (animal)ChemistryMolecular dynamicsBiophysicsLigand (biochemistry)Plasma protein bindingBinding siteProtein structureBiologyBiochemistryReceptorComputational chemistryDrug designVirtual Ligand ScreeningAllosteric InhibitorsBinding EnergeticsConformational LandscapesAce2 Host ReceptorSars-cov-2 Spike Protein

Sustainable Development Goals

SDG 0: Affordable and clean energy

Exploring Binding Pockets in the Conformational States of the SARS-CoV-2 Spike Trimers for the Screening of Allosteric Inhibitors Using Molecular Simulations and Ensemble-Based Ligand Docking

FAIR Checklist

Authors (2)

Funding (4 grants)

Impact

Open Access

Topics

Annotations (Europe PMC)