Zobrazeno 1 - 10 of 185 pro vyhledávání: '"Burggraaff, L."'
1
Proteins in harmony: Tuning selectivity in early drug discovery
Autor: Burggraaff, L.
Publikováno v: None
This thesis describes the importance of being able to control the selectivity of potential drug candidates. It explains how computational models are employed to predict and rationalize compound-protein binding (affinity) and therewith, selectivity of
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::bb3b3b47487accfc558e0fae31061e00
http://hdl.handle.net/1887/136965
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3
Akademický článek
Synthesis and SAR evaluation of coumarin derivatives as potent cannabinoid receptor agonists.
Autor: Mohr F; Institute of Organic Chemistry, Karlsruhe Institute of Technology (KIT), Fritz-Haber-Weg 6, D-76131, Karlsruhe, Germany; Division of Drug Discovery and Safety, Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55, 2333CC, Leiden, the Netherlands., Hurrle T; Institute of Organic Chemistry, Karlsruhe Institute of Technology (KIT), Fritz-Haber-Weg 6, D-76131, Karlsruhe, Germany; Institute of Biological and Chemical Systems - Functional Molecular Systems, Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, D-76344, Eggenstein-Leopoldshafen, Germany., Burggraaff L; Division of Drug Discovery and Safety, Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55, 2333CC, Leiden, the Netherlands., Langer L; Institute of Organic Chemistry, Karlsruhe Institute of Technology (KIT), Fritz-Haber-Weg 6, D-76131, Karlsruhe, Germany., Bemelmans MP; Division of Drug Discovery and Safety, Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55, 2333CC, Leiden, the Netherlands., Knab M; Institute of Organic Chemistry, Karlsruhe Institute of Technology (KIT), Fritz-Haber-Weg 6, D-76131, Karlsruhe, Germany., Nieger M; Department of Chemistry, University of Helsinki, P.O. Box 55 (A. I. Virtasen Aukio 1), 00014, Finland., van Westen GJP; Division of Drug Discovery and Safety, Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55, 2333CC, Leiden, the Netherlands., Heitman LH; Division of Drug Discovery and Safety, Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55, 2333CC, Leiden, the Netherlands. Electronic address: l.h.heitman@chem.leidenuniv.nl., Bräse S; Institute of Organic Chemistry, Karlsruhe Institute of Technology (KIT), Fritz-Haber-Weg 6, D-76131, Karlsruhe, Germany; Institute of Biological and Chemical Systems - Functional Molecular Systems, Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, D-76344, Eggenstein-Leopoldshafen, Germany. Electronic address: braese@kit.edu.
Publikováno v: European journal of medicinal chemistry [Eur J Med Chem] 2021 Aug 05; Vol. 220, pp. 113354. Date of Electronic Publication: 2021 Apr 07.
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4
Akademický článek
MTAF–DTA: multi-type attention fusion network for drug–target affinity prediction: MTAF–DTA: multi-type...: J. Sun et al.
Autor: Sun, Jinghong1 (AUTHOR) 2022200824@buct.edu.cn, Wang, Han1 (AUTHOR) han.wang.peking@gmail.com, Mi, Jia1 (AUTHOR) 2023400222@buct.edu.cn, Wan, Jing1 (AUTHOR) wanj@mail.buct.edu.cn, Gao, Jingyang1 (AUTHOR) gaojy@mail.buct.edu.cn
Publikováno v: BMC Bioinformatics. 12/5/2024, Vol. 25 Issue 1, p1-21. 21p.
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5
Akademický článek
Drug–target interaction prediction by integrating heterogeneous information with mutual attention network.
Autor: Zhang, Yuanyuan1 (AUTHOR), Wang, Yingdong1 (AUTHOR), Wu, Chaoyong2 (AUTHOR), Zhan, Lingmin1 (AUTHOR), Wang, Aoyi1 (AUTHOR), Cheng, Caiping1 (AUTHOR), Zhao, Jinzhong1 (AUTHOR), Zhang, Wuxia1 (AUTHOR) wuxia200758@163.com, Chen, Jianxin2 (AUTHOR) cjx@bucm.edu.cn, Li, Peng1 (AUTHOR) lip@sxau.edu.cn
Publikováno v: BMC Bioinformatics. 11/19/2024, Vol. 25 Issue 1, p1-16. 16p.
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6
Akademický článek
QSPRpred: a Flexible Open-Source Quantitative Structure-Property Relationship Modelling Tool.
Autor: van den Maagdenberg, Helle W.1 (AUTHOR), Šícho, Martin1,2 (AUTHOR), Araripe, David Alencar1,3 (AUTHOR), Luukkonen, Sohvi1,4 (AUTHOR), Schoenmaker, Linde1 (AUTHOR), Jespers, Michiel1 (AUTHOR), Béquignon, Olivier J. M.1,5 (AUTHOR), González, Marina Gorostiola1,6 (AUTHOR), van den Broek, Remco L.1 (AUTHOR), Bernatavicius, Andrius1,7 (AUTHOR), van Hasselt, J. G. Coen1 (AUTHOR), van der Graaf, Piet. H.1,8 (AUTHOR), van Westen, Gerard J. P.1 (AUTHOR) gerard@lacdr.leidenuniv.nl
Publikováno v: Journal of Cheminformatics. 11/14/2024, Vol. 16 Issue 1, p1-16. 16p.
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7
Akademický článek
Annotation of Allosteric Compounds to Enhance Bioactivity Modeling for Class A GPCRs.
Autor: Burggraaff L; Division of Drug Discovery & Safety, Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55, 2333 CC, Leiden, The Netherlands., van Veen A; Division of Drug Discovery & Safety, Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55, 2333 CC, Leiden, The Netherlands., Lam CC; Division of Drug Discovery & Safety, Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55, 2333 CC, Leiden, The Netherlands., van Vlijmen HWT; Division of Drug Discovery & Safety, Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55, 2333 CC, Leiden, The Netherlands.; Janssen Research & Development, Turnhoutseweg 30, 2340 Beerse, Belgium., IJzerman AP; Division of Drug Discovery & Safety, Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55, 2333 CC, Leiden, The Netherlands., van Westen GJP; Division of Drug Discovery & Safety, Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55, 2333 CC, Leiden, The Netherlands.
Publikováno v: Journal of chemical information and modeling [J Chem Inf Model] 2020 Oct 26; Vol. 60 (10), pp. 4664-4672. Date of Electronic Publication: 2020 Oct 05.
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8
Akademický článek
Design and pharmacological profile of a novel covalent partial agonist for the adenosine A 1 receptor.
Autor: Yang X; Division of Drug Discovery and Safety, Leiden Academic Centre for Drug Research (LACDR), Leiden University, P.O. Box 9502, 2300RA Leiden, The Netherlands., Dilweg MA; Division of Drug Discovery and Safety, Leiden Academic Centre for Drug Research (LACDR), Leiden University, P.O. Box 9502, 2300RA Leiden, The Netherlands., Osemwengie D; Division of Drug Discovery and Safety, Leiden Academic Centre for Drug Research (LACDR), Leiden University, P.O. Box 9502, 2300RA Leiden, The Netherlands., Burggraaff L; Division of Drug Discovery and Safety, Leiden Academic Centre for Drug Research (LACDR), Leiden University, P.O. Box 9502, 2300RA Leiden, The Netherlands., van der Es D; Division of Drug Discovery and Safety, Leiden Academic Centre for Drug Research (LACDR), Leiden University, P.O. Box 9502, 2300RA Leiden, The Netherlands., Heitman LH; Division of Drug Discovery and Safety, Leiden Academic Centre for Drug Research (LACDR), Leiden University, P.O. Box 9502, 2300RA Leiden, The Netherlands., IJzerman AP; Division of Drug Discovery and Safety, Leiden Academic Centre for Drug Research (LACDR), Leiden University, P.O. Box 9502, 2300RA Leiden, The Netherlands. Electronic address: ijzerman@lacdr.leidenuniv.nl.
Publikováno v: Biochemical pharmacology [Biochem Pharmacol] 2020 Oct; Vol. 180, pp. 114144. Date of Electronic Publication: 2020 Jul 10.
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9
Akademický článek
Successive Statistical and Structure-Based Modeling to Identify Chemically Novel Kinase Inhibitors.
Autor: Burggraaff L; Division of Drug Discovery & Safety, Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55, 2333 CC, Leiden, The Netherlands., Lenselink EB; Division of Drug Discovery & Safety, Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55, 2333 CC, Leiden, The Netherlands., Jespers W; Division of Drug Discovery & Safety, Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55, 2333 CC, Leiden, The Netherlands.; Department of Cell and Molecular Biology, Uppsala University, Uppsala 75124, Sweden., van Engelen J; Department of Computer Science, Leiden Institute of Advanced Computer Science, Leiden University, Niels Bohrweg 1, 2333 CA, Leiden, The Netherlands., Bongers BJ; Division of Drug Discovery & Safety, Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55, 2333 CC, Leiden, The Netherlands., González MG; Division of Drug Discovery & Safety, Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55, 2333 CC, Leiden, The Netherlands., Liu R; Division of Drug Discovery & Safety, Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55, 2333 CC, Leiden, The Netherlands., Hoos HH; Department of Computer Science, Leiden Institute of Advanced Computer Science, Leiden University, Niels Bohrweg 1, 2333 CA, Leiden, The Netherlands., van Vlijmen HWT; Division of Drug Discovery & Safety, Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55, 2333 CC, Leiden, The Netherlands.; Janssen Research & Development, Turnhoutseweg 30, 2340 Beerse, Belgium., IJzerman AP; Division of Drug Discovery & Safety, Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55, 2333 CC, Leiden, The Netherlands., van Westen GJP; Division of Drug Discovery & Safety, Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55, 2333 CC, Leiden, The Netherlands.
Publikováno v: Journal of chemical information and modeling [J Chem Inf Model] 2020 Sep 28; Vol. 60 (9), pp. 4283-4295. Date of Electronic Publication: 2020 May 12.
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10
Akademický článek
Structure-Activity Relationship Studies of α-Ketoamides as Inhibitors of the Phospholipase A and Acyltransferase Enzyme Family.
Autor: Zhou J; Department of Molecular Physiology, Leiden Institute of Chemistry, Leiden University & Oncode Institute, 2300 RA Leiden, The Netherlands., Mock ED; Department of Molecular Physiology, Leiden Institute of Chemistry, Leiden University & Oncode Institute, 2300 RA Leiden, The Netherlands., Al Ayed K; Department of Molecular Physiology, Leiden Institute of Chemistry, Leiden University & Oncode Institute, 2300 RA Leiden, The Netherlands., Di X; Department of Systems Biomedicine and Pharmacology, Leiden Academic Centre for Drug Research, Leiden University, 2300 RA Leiden, The Netherlands., Kantae V; Department of Systems Biomedicine and Pharmacology, Leiden Academic Centre for Drug Research, Leiden University, 2300 RA Leiden, The Netherlands., Burggraaff L; Department of Drug Discovery and Safety, Leiden Academic Centre for Drug Research, Leiden University, 2300 RA Leiden, The Netherlands., Stevens AF; Department of Molecular Physiology, Leiden Institute of Chemistry, Leiden University & Oncode Institute, 2300 RA Leiden, The Netherlands., Martella A; Department of Molecular Physiology, Leiden Institute of Chemistry, Leiden University & Oncode Institute, 2300 RA Leiden, The Netherlands., Mohr F; Department of Molecular Physiology, Leiden Institute of Chemistry, Leiden University & Oncode Institute, 2300 RA Leiden, The Netherlands., Jiang M; Department of Molecular Physiology, Leiden Institute of Chemistry, Leiden University & Oncode Institute, 2300 RA Leiden, The Netherlands., van der Wel T; Department of Molecular Physiology, Leiden Institute of Chemistry, Leiden University & Oncode Institute, 2300 RA Leiden, The Netherlands., Wendel TJ; Department of Molecular Physiology, Leiden Institute of Chemistry, Leiden University & Oncode Institute, 2300 RA Leiden, The Netherlands., Ofman TP; Department of Molecular Physiology, Leiden Institute of Chemistry, Leiden University & Oncode Institute, 2300 RA Leiden, The Netherlands., Tran Y; Department of Molecular Physiology, Leiden Institute of Chemistry, Leiden University & Oncode Institute, 2300 RA Leiden, The Netherlands., de Koster N; Department of Molecular Physiology, Leiden Institute of Chemistry, Leiden University & Oncode Institute, 2300 RA Leiden, The Netherlands., van Westen GJP; Department of Drug Discovery and Safety, Leiden Academic Centre for Drug Research, Leiden University, 2300 RA Leiden, The Netherlands., Hankemeier T; Department of Systems Biomedicine and Pharmacology, Leiden Academic Centre for Drug Research, Leiden University, 2300 RA Leiden, The Netherlands., van der Stelt M; Department of Molecular Physiology, Leiden Institute of Chemistry, Leiden University & Oncode Institute, 2300 RA Leiden, The Netherlands.
Publikováno v: Journal of medicinal chemistry [J Med Chem] 2020 Sep 10; Vol. 63 (17), pp. 9340-9359. Date of Electronic Publication: 2020 Aug 13.
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