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1دورية أكاديمية
المؤلفون: Elmeri M. Jokinen, Miika Niemeläinen, Sami T. Kurkinen, Jukka V. Lehtonen, Sakari Lätti, Pekka A. Postila, Olli T. Pentikäinen, Sanna P. Niinivehmas
المصدر: Molecules, Vol 28, Iss 8, p 3420 (2023)
مصطلحات موضوعية: molecular docking, docking rescoring, negative image-based rescoring (R-NiB), brute force negative image-based optimization (BR-NiB), pharmacophore (PHA) filtering, retinoic acid receptor-related orphan receptor gamma t (RORγt), Organic chemistry, QD241-441
وصف الملف: electronic resource
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2دورية أكاديمية
المصدر: International Journal of Molecular Sciences, Vol 23, Iss 14, p 7871 (2022)
مصطلحات موضوعية: molecular docking, docking rescoring, virtual screening, negative image-based rescoring (R-NiB), brute-force negative image-based optimization (BR-NiB), ligand-enhanced brute-force negative image-based optimization (LBR-NiB), Biology (General), QH301-705.5, Chemistry, QD1-999
وصف الملف: electronic resource
العلاقة: https://www.mdpi.com/1422-0067/23/14/7871Test; https://doaj.org/toc/1661-6596Test; https://doaj.org/toc/1422-0067Test
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3دورية أكاديمية
المؤلفون: Aline A. Oliveira, Tomasz Róg, Albérico B. F. da Silva, Rommie E. Amaro, Mark S. Johnson, Pekka A. Postila
المصدر: Biomolecules, Vol 12, Iss 2, p 183 (2022)
مصطلحات موضوعية: outer mitochondrial membrane (OMM), molecular dynamics (MD), negatively charged lipids, phosphatidylinositol (PI), phosphatidylserine (PS), membrane lipid composition (MLC), Microbiology, QR1-502
وصف الملف: electronic resource
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4دورية أكاديمية
المؤلفون: Sanna Rauhamäki, Pekka A. Postila, Sakari Lätti, Sanna Niinivehmas, Elina Multamäki, Klaus R. Liedl, Olli T. Pentikäinen
المصدر: ACS Omega, Vol 3, Iss 6, Pp 6259-6266 (2018)
وصف الملف: electronic resource
العلاقة: https://doaj.org/toc/2470-1343Test
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5دورية أكاديمية
المؤلفون: Sanna Niinivehmas, Pekka A. Postila, Sanna Rauhamäki, Elangovan Manivannan, Sami Kortet, Mira Ahinko, Pasi Huuskonen, Niina Nyberg, Pasi Koskimies, Sakari Lätti, Elina Multamäki, Risto O. Juvonen, Hannu Raunio, Markku Pasanen, Juhani Huuskonen, Olli T. Pentikäinen
المصدر: Journal of Enzyme Inhibition and Medicinal Chemistry, Vol 33, Iss 1, Pp 743-754 (2018)
مصطلحات موضوعية: 3-Phenylcoumarin, 17-β-hydroxysteroid dehydrogenase 1 (HSD1), 3-imidazolecoumarin, aromatase, structure-activity relationship (SAR), Therapeutics. Pharmacology, RM1-950
وصف الملف: electronic resource
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6دورية أكاديمية
المؤلفون: Sami T. Kurkinen, Sanna Niinivehmas, Mira Ahinko, Sakari Lätti, Olli T. Pentikäinen, Pekka A. Postila
المصدر: Frontiers in Pharmacology, Vol 9 (2018)
مصطلحات موضوعية: molecular docking, docking rescoring, negative image-based rescoring (R-NiB), benchmarking, consensus scoring, Therapeutics. Pharmacology, RM1-950
وصف الملف: electronic resource
العلاقة: http://journal.frontiersin.org/article/10.3389/fphar.2018.00260/fullTest; https://doaj.org/toc/1663-9812Test
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7دورية أكاديمية
المؤلفون: Sanna Rauhamäki, Pekka A. Postila, Sanna Niinivehmas, Sami Kortet, Emmi Schildt, Mira Pasanen, Elangovan Manivannan, Mira Ahinko, Pasi Koskimies, Niina Nyberg, Pasi Huuskonen, Elina Multamäki, Markku Pasanen, Risto O. Juvonen, Hannu Raunio, Juhani Huuskonen, Olli T. Pentikäinen
المصدر: Frontiers in Chemistry, Vol 6 (2018)
مصطلحات موضوعية: 3-phenylcoumarin, monoamine oxidase B (MAO-B), structure-activity relationship (SAR), virtual drug design, Parkinson's disease, Chemistry, QD1-999
وصف الملف: electronic resource
العلاقة: http://journal.frontiersin.org/article/10.3389/fchem.2018.00041/fullTest; https://doaj.org/toc/2296-2646Test
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8دورية أكاديمية
المؤلفون: Mira Ahinko, Sami T. Kurkinen, Sanna P. Niinivehmas, Olli T. Pentikäinen, Pekka A. Postila
المصدر: International Journal of Molecular Sciences, Vol 20, Iss 11, p 2779 (2019)
مصطلحات موضوعية: negative image-based (NIB) screening, negative image-based rescoring (R-NiB), molecular docking, rigid docking, docking rescoring, virtual screening, structure-based drug discovery, cyclooxygenase-2 (COX-2), Biology (General), QH301-705.5, Chemistry, QD1-999
وصف الملف: electronic resource
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9
المؤلفون: Olli T, Pentikäinen, Pekka A, Postila
المصدر: Methods in molecular biology (Clifton, N.J.). 2266
مصطلحات موضوعية: Binding Sites, Static Electricity, Molecular Conformation, Neuraminidase, Proteins, Crystallography, X-Ray, Ligands, Molecular Docking Simulation, Cyclooxygenase 2, Area Under Curve, Drug Discovery, Databases, Protein, Algorithms, Software, Protein Binding
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=pmid________::b6deed492456d460e132fb8367831b21Test
https://pubmed.ncbi.nlm.nih.gov/33759125Test -
10
المؤلفون: Pekka A, Postila, Sami T, Kurkinen, Olli T, Pentikäinen
المصدر: Methods in molecular biology (Clifton, N.J.). 2266
مصطلحات موضوعية: Models, Molecular, Binding Sites, Static Electricity, Molecular Conformation, Proteins, Crystallography, X-Ray, Ligands, Molecular Docking Simulation, Small Molecule Libraries, User-Computer Interface, ROC Curve, Cyclooxygenase 2, Drug Discovery, Databases, Protein, Algorithms, Software, Protein Binding
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=pmid________::909ca1cad22fa9714d2e3bd44587df1eTest
https://pubmed.ncbi.nlm.nih.gov/33759124Test