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Biochemical and Computational Characterization of Haloalkane Dehalogenase Variants Designed by Generative AI: Accelerating the SN2 Step

Journal of the American Chemical Society(2025)10.1021/jacs.4c15551Source: DataRank Database

Biochemical and Computational Characterization of Haloalkane Dehalogenase Variants Designed by Generative AI: Accelerating the SN2 Step is a research paper published in Journal of the American Chemical Society (2025). On theSindex it has a DataRank of 0. It has been cited 11 times.

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0DataRank · unranked

Scored on demand from live citation data

Open Access11 citations

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›Methodology & internals

datarank_citation_only_1hop_v6· scope data_onlyMethodology

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Enrichment:Funding (7 grants)Impact (FWCI 4.54)OA: greenTopics (27)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 (8)

Vojtěch Orel,Wenqiang Cui ORCID,Jiřı́ Damborský ORCID,Chenglong Li ORCID,Zbyněk Prokop ORCID

Live enrichment

PubMed:39792627 PMC:PMC12445222 OpenAlex:https://openalex.org/W4406237446

Division of Molecular and Cellular Biosciences

Grant: MCB 1707167

Ministerstvo ?kolstv?, Ml?de?e a Telov?chovy

Grant: LX22NPO5107 MEYS

European Cooperation in Science and Technology

Grant: CA21162

Horizon 2020 Framework Programme

Grant: 857560

National Institute of General Medical Sciences

Grant: R35 GM122472

University of Florida

NextGenerationEU

FWCI

4.54

Citation Percentile

1.0%

Citation Trend

2025

2026

greenLicense: https://doi.org/10.15223/policy-029

repositoryhttps://pmc.ncbi.nlm.nih.gov/articles/PMC12445222/pdf/nihms-2104411.pdf

publisherhttps://pubs.acs.org/doi/pdf/10.1021/jacs.4c15551

repositoryhttps://pmc.ncbi.nlm.nih.gov/articles/PMC12445222/

journalhttps://doi.org/10.1021/jacs.4c15551

Fields of Study

Protein Structure and DynamicsMicrobial Metabolic Engineering and BioproductionHydrolasesArtificial IntelligenceKineticsMolecular Dynamics SimulationProtein Engineering

MeSH Terms

Artificial IntelligenceHydrolasesKineticsProtein EngineeringBiocatalysisMolecular Dynamics Simulation

Keywords

ChemistryMetadynamicsSN2 reactionDehalogenaseActive siteMolecular dynamicsProtein designStereochemistryProtein engineeringEnzyme catalysisEnzymeComputational chemistryBiochemistryProtein structure