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In silico screening of LRRK2 WDR domain inhibitors using deep docking and free energy simulations

Chemical Science(2024)10.1039/d3sc06880cSource: DataRank Database

In silico screening of LRRK2 WDR domain inhibitors using deep docking and free energy simulations is a research paper published in Chemical Science (2024). On theSindex it has a DataRank of 0. It has been cited 26 times.

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Open Access26 citations

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datarank_citation_only_1hop_v6· scope data_onlyMethodology

Pipeline:MetadataData-paper checkEnrichmentCitation networkScoring

Enrichment:Funding (16 grants)OA: goldTopics (1)IDs (PubMed)

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Reusable (0/3)

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Authors (9)

Filipp Gusev ORCID,Francesco Gentile ORCID,Fuqiang Ban,S. Benjamin Koby ORCID,Chamali Narangoda ORCID

Live enrichment

PubMed:38873063

National Science Foundation

Grant: OAC-1818253

National Science Foundation

Grant: DMS-1563291

National Science Foundation

Grant: MCB-1818213

National Science Foundation

Grant: ACI-1053575

National Science Foundation

Grant: CHE-2154447

National Institutes of Health

Grant: R01NS083660

National Science Foundation

Grant: 1818253

Computation for the Endless Frontier

National Science Foundation

Grant: 1053575

XSEDE: eXtreme Science and Engineering Discovery Environment

National Science Foundation

Grant: 1818213

NSF/MCB-BSF: Collaborative Research: Towards development of the structural determinants of the Glutamate receptor gating regulation by auxiliary membrane anchored proteins

National Institutes of Health

Grant: 5R01NS083660-03

Structure and Finction of AMPA subtype ionotropic glutamate receptors

National Science Foundation

Grant: 2138286

Track 2: Customized Multi-tier Assistance, Training, and Computational Help (MATCH) for End User ACCESS to CI

National Science Foundation

Grant: 2138307

Track 3: COre National Ecosystem for CyberinfrasTructure (CONECT)

National Science Foundation

Grant: 2138296

ACO: An Open CI Ecosystem to Advance Scientific Discovery (OpenCI)

National Science Foundation

Grant: 2137603

Track 4: Advanced CI Coordination Ecosystem: Monitoring and Measurement Services

National Science Foundation

Grant: 2154447

Collaborative Research: A Data-driven Closed-loop Framework for De Novo Generation of Molecules with Targeted Properties

National Science Foundation

Grant: 2138259

Track 1: ACCESS Resource Allocations Marketplace and Platform Services (RAMPS)

goldLicense: CC BY NC

https://doi.org/10.26434/chemrxiv-2023-lnzvr

https://doi.org/10.1039/d3sc06880c

https://doi.org/10.26434/chemrxiv-2023-lnzvr-v2

https://pubmed.ncbi.nlm.nih.gov/38873063

http://dx.doi.org/10.1039/d3sc06880c

Keywords

Chemistry