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Towards Computational Modeling of Ligand Binding to the ILPR G-Quadruplex

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dc.contributor.authorZhang, Xiaotong
dc.contributor.authorBarrow, John
dc.contributor.authorvan Mourik, Tanja
dc.contributor.authorBühl, Michael
dc.contributor.institutionUniversity of Aberdeen.Medical Educationen
dc.contributor.institutionUniversity of Aberdeen.Vice Principalsen
dc.date.accessioned2023-05-04T13:09:00Z
dc.date.available2023-05-04T13:09:00Z
dc.date.issued2023-04-13
dc.descriptionAcknowledgments X.Z. wants to thank the Chinese Scholarship Council for funding. We thank EaStCHEM and the School of Chemistry for their support. Computations were carried out on the St Andrews HPC cluster and computer clusters in the School of Chemistry. Funding This research received no external funding.en
dc.description.statusPeer revieweden
dc.format.extent14
dc.format.extent3292708
dc.identifier237468935
dc.identifier095c8691-6493-4a22-94aa-e21bf74a7969
dc.identifier85156114819
dc.identifier37110681
dc.identifier.citationZhang, X, Barrow, J, van Mourik, T & Bühl, M 2023, 'Towards Computational Modeling of Ligand Binding to the ILPR G-Quadruplex', Molecules, vol. 28, no. 8, 3447. https://doi.org/10.3390/molecules28083447en
dc.identifier.doi10.3390/molecules28083447
dc.identifier.iss8en
dc.identifier.issn1420-3049
dc.identifier.otherORCID: /0000-0001-9602-8654/work/134749263
dc.identifier.urihttps://hdl.handle.net/2164/20646
dc.identifier.urlhttp://www.scopus.com/inward/record.url?scp=85156114819&partnerID=8YFLogxKen
dc.identifier.vol28en
dc.language.isoeng
dc.relation.ispartofMoleculesen
dc.subjectG-quadruplexen
dc.subjectPotential of mean forceen
dc.subjectLigand with high flexibilityen
dc.subjectQD Chemistryen
dc.subjectGeneral Biochemistry,Genetics and Molecular Biologyen
dc.subjectGeneral Chemistryen
dc.subjectGeneral Computer Scienceen
dc.subjectSupplementary Informationen
dc.subject.lccQDen
dc.titleTowards Computational Modeling of Ligand Binding to the ILPR G-Quadruplexen
dc.typeJournal articleen

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