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Correlation of protein binding pocket properties with hits’ chemistries used in generation of ultra-large virtual libraries

Journal of Computer-Aided Molecular Design(2024)10.1007/s10822-024-00562-4Source: DataRank Database

Correlation of protein binding pocket properties with hits’ chemistries used in generation of ultra-large virtual libraries is a research paper published in Journal of Computer-Aided Molecular Design (2024). On theSindex it has a DataRank of 0. It has been cited 1 time.

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Open Access1 citations

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Enrichment:Funding (2 grants)Impact (FWCI 0.24)OA: hybridTopics (24)IDs (PubMed, PMC, OpenAlex)Annotations (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)

Marc C. Nicklaus ORCID,Nadya I. Tarasova ORCID,Robert X.-D. Song

Live enrichment

PubMed:38753096 PMC:PMC11098933 OpenAlex:https://openalex.org/W4396976020

Intramural Research Program of the NIH, National Cancer Institute, CCR

National Cancer Institute

FWCI

0.24

Citation Percentile

0.5%

Citation Trend

2026

hybridLicense: cc-by

journalhttp://dx.doi.org/10.1007/s10822-024-00562-4

publisherhttp://dx.doi.org/10.1007/s10822-024-00562-4

publisherhttps://link.springer.com/content/pdf/10.1007/s10822-024-00562-4.pdf

publisherhttps://link.springer.com/article/10.1007/s10822-024-00562-4/fulltext.html

repositoryhttps://pubmed.ncbi.nlm.nih.gov/38753096

Fields of Study

Computational Drug Discovery MethodsMicrobial Natural Products and BiosynthesisChemical Synthesis and Analysis

MeSH Terms

Binding SitesHumansLigandsProtein BindingProteinsDrug DesignSmall Molecule LibrariesDrug DiscoveryMolecular Docking Simulation

Keywords

Virtual screeningComputer scienceDrug discoveryScope (computer science)ChemistryCombinatorial chemistryBiochemistryProgramming languageChemical reactionsDruggabilityTransformsProtein Pockets

Correlation of protein binding pocket properties with hits’ chemistries used in generation of ultra-large virtual libraries

FAIR Checklist

Authors (3)

Funding (2 grants)

Impact

Open Access

Topics

Annotations (Europe PMC)