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Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention

Journal of Chemical Information and Modeling(2024)10.1021/acs.jcim.3c01698Source: DataRank Database

Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention is a research paper published in Journal of Chemical Information and Modeling (2024). On theSindex it has a DataRank of 0. It has been cited 35 times.

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Open Access35 citations

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datarank_citation_only_1hop_v6· scope data_onlyMethodology

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Enrichment:Funding (2 grants)Impact (FWCI 8.53)OA: greenTopics (36)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 (4)

Michael Strobel ORCID,Bodhi P. Vani ORCID,Pratyush Tiwary ORCID,Zachary Smith ORCID

Live enrichment

PubMed:38453912 PMC:PMC11182664 OpenAlex:https://openalex.org/W4392626944

National Institute of General Medical Sciences

Grant: R35GM142719

National Institutes of Health

Grant: 1R35GM142719-01

From atoms to mechanisms - Artificial Intelligence augmented molecular simulations for mechanistic ligand design

FWCI

8.53

Citation Percentile

1.0%

Citation Trend

2023

2024

2025

2026

greenLicense: CC BY

repositoryhttps://pmc.ncbi.nlm.nih.gov/articles/PMC11182664/pdf/nihms-1996964.pdf

publisherhttps://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c01698

repositoryhttps://www.ncbi.nlm.nih.gov/pmc/articles/11182664

journalhttps://doi.org/10.1021/acs.jcim.3c01698

Fields of Study

Computational Drug Discovery MethodsProtein Structure and DynamicsChemical Synthesis and Analysis0206 medical engineering02 engineering and technologyBinding SitesAnti-HIV AgentsDrug DiscoveryNeural Networks, ComputerHand Strength

MeSH Terms

Binding SitesNeural Networks, ComputerHand StrengthAnti-HIV AgentsDrug Discovery

Keywords

DruggabilityGRASPComputer scienceWorkflowGraphA priori and a posterioriDocking (animal)Data miningArtificial intelligenceArtificial neural networkMachine learningTheoretical computer scienceChemistryDatabaseProgramming languageBinding SitesHand StrengthAnti-HIV AgentsDrug DiscoveryNeural Networks, ComputerArticle

Sustainable Development Goals

SDG 0: Affordable and clean energy

Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention

FAIR Checklist

Authors (4)

Funding (2 grants)

Impact

Open Access

Topics

Annotations (Europe PMC)