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Multiscale virtual screening optimization for shotgun drug repurposing using the CANDO platform

bioRxiv (Cold Spring Harbor Laboratory)(2020)10.1101/2020.08.24.265488Source: DataRank Database

Multiscale virtual screening optimization for shotgun drug repurposing using the CANDO platform is a research paper published in bioRxiv (Cold Spring Harbor Laboratory) (2020). On theSindex it has a DataRank of 0. It has been cited 2 times.

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Open Access2 citations

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datarank_citation_only_1hop_v6· scope data_onlyMethodology

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Enrichment:Funding (2 grants)OA: greenTopics (44)IDs (PubMed, OpenAlex)SDGs (1)

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Authors (2)

Ram Samudrala ORCID,Matthew L. Hudson ORCID

Live enrichment

PubMed:21097893 OpenAlex:https://openalex.org/W3081057731

National Institutes of Health

Grant: 3UL1TR001412-08S3

Buffalo Clinical and Translational Research Center

National Institutes of Health

Grant: 5DP1OD006779-02

NOVEL PARADIGMS FOR DRUG DISCOVERY: COMPUTATIONAL MULTITARGET SCREENING

greenLicense: cc-by

repositoryhttps://www.biorxiv.org/content/biorxiv/early/2020/08/25/2020.08.24.265488.full.pdf

publisherhttps://syndication.highwire.org/content/doi/10.1101/2020.08.24.265488

repositoryhttps://doi.org/10.1101/2020.08.24.265488

https://doi.org/10.3390/molecules26092581

Fields of Study

Computational Drug Discovery MethodsPharmacogenetics and Drug MetabolismBioinformatics and Genomic Networks0301 basic medicine03 medical and health sciences0303 health sciences

Keywords

Drug repositioningRepurposingComputer scienceShotgunVirtual screeningComputational biologyDrug discoveryPipeline (software)DrugDecision treePipeline transportData miningMachine learningArtificial intelligenceBioinformaticsEngineeringChemistryBiologyPharmacologyProteomicsProteomeOrganic chemistryMedicine and PharmacologyMolecular Dynamics SimulationArticleStructure-Activity RelationshipQD241-441Immunology and AllergyHumansmultitargetingproteomic signaturepolypharmacologydrug repurposingReproducibility of Resultsstructural bioinformaticsmolecular dockingMolecular Docking Simulationmultiscale

Sustainable Development Goals

SDG 3: 3. Good health