Zobrazeno 1 - 10 of 267 pro vyhledávání: '"Sirockin F"'
1
Akademický článek
Balancing Molecular Size, Activity, Permeability, and Other Properties: Drug Candidates in the Context of Their Chemical Structure Optimization.
Autor: Beckers M; Biomedical Research, Novartis Pharma AG, Postfach, Basel 4002, Switzerland., Sirockin F; Biomedical Research, Novartis Pharma AG, Postfach, Basel 4002, Switzerland., Fechner N; Biomedical Research, Novartis Pharma AG, Postfach, Basel 4002, Switzerland., Stiefl N; Biomedical Research, Novartis Pharma AG, Postfach, Basel 4002, Switzerland.
Publikováno v: Journal of chemical information and modeling [J Chem Inf Model] 2024 Aug 26; Vol. 64 (16), pp. 6636-6647. Date of Electronic Publication: 2024 Aug 13.
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2
Akademický článek
Prediction of Small-Molecule Developability Using Large-Scale In Silico ADMET Models.
Autor: Beckers M; Novartis Institutes for BioMedical Research, Novartis Pharma AG, Postfach, 4002 Basel, Switzerland., Sturm N; Novartis Institutes for BioMedical Research, Novartis Pharma AG, Postfach, 4002 Basel, Switzerland., Sirockin F; Novartis Institutes for BioMedical Research, Novartis Pharma AG, Postfach, 4002 Basel, Switzerland., Fechner N; Novartis Institutes for BioMedical Research, Novartis Pharma AG, Postfach, 4002 Basel, Switzerland., Stiefl N; Novartis Institutes for BioMedical Research, Novartis Pharma AG, Postfach, 4002 Basel, Switzerland.
Publikováno v: Journal of medicinal chemistry [J Med Chem] 2023 Oct 26; Vol. 66 (20), pp. 14047-14060. Date of Electronic Publication: 2023 Oct 10.
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3
Akademický článek
PREFER: A New Predictive Modeling Framework for Molecular Discovery.
Autor: Lanini J; Novartis Institutes for BioMedical Research, Novartis Pharma AG, Novartis Campus, 4002 Basel, Switzerland., Santarossa G; Novartis Institutes for BioMedical Research, Novartis Pharma AG, Novartis Campus, 4002 Basel, Switzerland., Sirockin F; Novartis Institutes for BioMedical Research, Novartis Pharma AG, Novartis Campus, 4002 Basel, Switzerland., Lewis R; Novartis Institutes for BioMedical Research, Novartis Pharma AG, Novartis Campus, 4002 Basel, Switzerland., Fechner N; Novartis Institutes for BioMedical Research, Novartis Pharma AG, Novartis Campus, 4002 Basel, Switzerland., Misztela H; AI Innovation Lab, Novartis Pharma AG, Dublin 4, Irland., Lewis S; Microsoft Research AI4Science, Cambridge CB1 2FB, U.K., Maziarz K; Microsoft Research AI4Science, Cambridge CB1 2FB, U.K., Stanley M; Microsoft Research AI4Science, Cambridge CB1 2FB, U.K., Segler M; Microsoft Research AI4Science, Cambridge CB1 2FB, U.K., Stiefl N; Novartis Institutes for BioMedical Research, Novartis Pharma AG, Novartis Campus, 4002 Basel, Switzerland., Schneider N; Novartis Institutes for BioMedical Research, Novartis Pharma AG, Novartis Campus, 4002 Basel, Switzerland.
Publikováno v: Journal of chemical information and modeling [J Chem Inf Model] 2023 Aug 14; Vol. 63 (15), pp. 4497-4504. Date of Electronic Publication: 2023 Jul 24.
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4
Akademický článek
Chemical Reactivity Prediction: Current Methods and Different Application Areas.
Autor: Ertl P; Novartis Institutes for BioMedical Research, NIBR Global Discovery Chemistry, Computer-Aided Drug Discovery, Novartis Pharma AG, Novartis Campus, 4056, Basel, Switzerland., Gerebtzoff G; Novartis Institutes for BioMedical Research, NIBR Translational Medicine, Modeling and Simulations, Novartis Pharma AG, Novartis Campus, 4056, Basel, Switzerland., Lewis R; Novartis Institutes for BioMedical Research, NIBR Global Discovery Chemistry, Computer-Aided Drug Discovery, Novartis Pharma AG, Novartis Campus, 4056, Basel, Switzerland., Muenkler H; Novartis Institutes for BioMedical Research, NIBR Global Discovery Chemistry, Computer-Aided Drug Discovery, Novartis Pharma AG, Novartis Campus, 4056, Basel, Switzerland., Schneider N; Novartis Institutes for BioMedical Research, NIBR Global Discovery Chemistry, Computer-Aided Drug Discovery, Novartis Pharma AG, Novartis Campus, 4056, Basel, Switzerland., Sirockin F; Novartis Institutes for BioMedical Research, NIBR Global Discovery Chemistry, Computer-Aided Drug Discovery, Novartis Pharma AG, Novartis Campus, 4056, Basel, Switzerland., Stiefl N; Novartis Institutes for BioMedical Research, NIBR Global Discovery Chemistry, Computer-Aided Drug Discovery, Novartis Pharma AG, Novartis Campus, 4056, Basel, Switzerland., Tosco P; Novartis Institutes for BioMedical Research, NIBR Global Discovery Chemistry, Computer-Aided Drug Discovery, Novartis Pharma AG, Novartis Campus, 4056, Basel, Switzerland.
Publikováno v: Molecular informatics [Mol Inform] 2022 Jun; Vol. 41 (6), pp. e2100277. Date of Electronic Publication: 2022 Jan 22.
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5
Akademický článek
CAVIAR: a method for automatic cavity detection, description and decomposition into subcavities.
Autor: Marchand JR; Novartis Institutes for Biomedical Research, Fabrikstrasse 16, 4056, Basel, Switzerland. jean-remy.marchand@novartis.com., Pirard B; Novartis Institutes for Biomedical Research, Fabrikstrasse 16, 4056, Basel, Switzerland., Ertl P; Novartis Institutes for Biomedical Research, Fabrikstrasse 16, 4056, Basel, Switzerland., Sirockin F; Novartis Institutes for Biomedical Research, Fabrikstrasse 16, 4056, Basel, Switzerland. finton.sirockin@novartis.com.
Publikováno v: Journal of computer-aided molecular design [J Comput Aided Mol Des] 2021 Jun; Vol. 35 (6), pp. 737-750. Date of Electronic Publication: 2021 May 29.
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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
Machine Learning Framework for Conotoxin Class and Molecular Target Prediction.
Autor: Truong, Duc P.1 (AUTHOR), Monroe, Lyman K.2 (AUTHOR), Williams, Robert F.2 (AUTHOR), Nguyen, Hau B.2 (AUTHOR) hau@lanl.gov
Publikováno v: Toxins. Nov2024, Vol. 16 Issue 11, p475. 15p.
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8
Akademický článek
Discovery of 4-((2 S ,4 S )-4-Ethoxy-1-((5-methoxy-7-methyl-1 H -indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
Autor: Mainolfi N; Novartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States., Ehara T; Novartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States., Karki RG; Novartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States., Anderson K; Novartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States., Mac Sweeney A; Novartis Institutes for BioMedical Research, Novartis Pharma AG, CH-4056 Basel, Switzerland., Liao SM; Novartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States., Argikar UA; Novartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States., Jendza K; Novartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States., Zhang C; Novartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States., Powers J; Novartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States., Klosowski DW; Novartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States., Crowley M; Novartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States., Kawanami T; Novartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States., Ding J; Novartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States., April M; Novartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States., Forster C; Novartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States., Serrano-Wu M; Novartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States., Capparelli M; Novartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States., Ramqaj R; Novartis Institutes for BioMedical Research, Novartis Pharma AG, CH-4056 Basel, Switzerland., Solovay C; Novartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States., Cumin F; Novartis Institutes for BioMedical Research, Novartis Pharma AG, CH-4056 Basel, Switzerland., Smith TM; Novartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States., Ferrara L; Novartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States., Lee W; Novartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States., Long D; Novartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States., Prentiss M; Novartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States., De Erkenez A; Novartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States., Yang L; Novartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States., Liu F; Novartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States., Sellner H; Novartis Institutes for BioMedical Research, Novartis Pharma AG, CH-4056 Basel, Switzerland., Sirockin F; Novartis Institutes for BioMedical Research, Novartis Pharma AG, CH-4056 Basel, Switzerland., Valeur E; Novartis Institutes for BioMedical Research, Novartis Pharma AG, CH-4056 Basel, Switzerland., Erbel P; Novartis Institutes for BioMedical Research, Novartis Pharma AG, CH-4056 Basel, Switzerland., Ostermeier D; Novartis Institutes for BioMedical Research, Novartis Pharma AG, CH-4056 Basel, Switzerland., Ramage P; Novartis Institutes for BioMedical Research, Novartis Pharma AG, CH-4056 Basel, Switzerland., Gerhartz B; Novartis Institutes for BioMedical Research, Novartis Pharma AG, CH-4056 Basel, Switzerland., Schubart A; Novartis Institutes for BioMedical Research, Novartis Pharma AG, CH-4056 Basel, Switzerland., Flohr S; Novartis Institutes for BioMedical Research, Novartis Pharma AG, CH-4056 Basel, Switzerland., Gradoux N; Novartis Institutes for BioMedical Research, Novartis Pharma AG, CH-4056 Basel, Switzerland., Feifel R; Novartis Institutes for BioMedical Research, Novartis Pharma AG, CH-4056 Basel, Switzerland., Vogg B; Novartis Institutes for BioMedical Research, Novartis Pharma AG, CH-4056 Basel, Switzerland., Wiesmann C; Novartis Institutes for BioMedical Research, Novartis Pharma AG, CH-4056 Basel, Switzerland., Maibaum J; Novartis Institutes for BioMedical Research, Novartis Pharma AG, CH-4056 Basel, Switzerland., Eder J; Novartis Institutes for BioMedical Research, Novartis Pharma AG, CH-4056 Basel, Switzerland., Sedrani R; Novartis Institutes for BioMedical Research, Novartis Pharma AG, CH-4056 Basel, Switzerland., Harrison RA; Novartis Institutes for BioMedical Research, Novartis Pharma AG, CH-4056 Basel, Switzerland., Mogi M; Novartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States., Jaffee BD; Novartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States., Adams CM; Novartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States.
Publikováno v: Journal of medicinal chemistry [J Med Chem] 2020 Jun 11; Vol. 63 (11), pp. 5697-5722. Date of Electronic Publication: 2020 Feb 19.
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9
Akademický článek
Novel DNA Repair Inhibitors Targeting XPG to Enhance Cisplatin Therapy in Non-Small Cell Lung Cancer: Insights from In Silico and Cell-Based Studies.
Autor: Manguinhas, Rita1 (AUTHOR) rmanguinhas@edu.ulisboa.pt, Serra, Patrícia A.1,2,3 (AUTHOR) nuno.gil@fundacaochampalimaud.pt, Gil, Nuno2 (AUTHOR), Rosell, Rafael4,5 (AUTHOR) rrosell@oncorosell.com, Oliveira, Nuno G.1 (AUTHOR) ngoliveira@ff.ulisboa.pt, Guedes, Rita C.1 (AUTHOR) ngoliveira@ff.ulisboa.pt
Publikováno v: Cancers. Sep2024, Vol. 16 Issue 18, p3174. 23p.
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10
Akademický článek
Quantitative Characterization of the Impact of Protein–Protein Interactions on Ligand–Protein Binding: A Multi-Chain Dynamics Perturbation Analysis Method.
Autor: Li, Lu1 (AUTHOR) 202261118018@njtech.edu.cn, Li, Hao1 (AUTHOR), Su, Ting1 (AUTHOR), Ming, Dengming1 (AUTHOR) dming@njtech.edu.cn
Publikováno v: International Journal of Molecular Sciences. Sep2024, Vol. 25 Issue 17, p9172. 13p.
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