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1دورية أكاديمية
المؤلفون: Habib Bouguenina, Stephanos Nicolaou, Yann-Vaï Le Bihan, Elizabeth A. Bowling, Cheyenne Calderon, John J. Caldwell, Brinley Harrington, Angela Hayes, P. Craig McAndrew, Costas Mitsopoulos, Fernando Jr. Sialana, Andrea Scarpino, Mark Stubbs, Arjun Thapaliya, Siddhartha Tyagi, Hannah Z. Wang, Francesca Wood, Rosemary Burke, Florence Raynaud, Jyoti Choudhary, Rob L.M. van Montfort, Amine Sadok, Thomas F. Westbrook, Ian Collins, Rajesh Chopra
المصدر: iScience, Vol 26, Iss 7, Pp 107059- (2023)
مصطلحات موضوعية: Oncology, Biological sciences, Biochemistry, Cell biology, Science
وصف الملف: electronic resource
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2دورية أكاديمية
المؤلفون: Andrea Scarpino, Dávid Bajusz, Matic Proj, Martina Gobec, Izidor Sosič, Stanislav Gobec, György G. Ferenczy, György M. Keserű
المصدر: Molecules, Vol 24, Iss 14, p 2590 (2019)
مصطلحات موضوعية: immunoproteasome, covalent inhibitor, virtual screening, β5i selective inhibitor, Organic chemistry, QD241-441
وصف الملف: electronic resource
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المؤلفون: György M. Keserű, László Petri, Tímea Imre, Damijan Knez, Andrea Scarpino, György G. Ferenczy, Stanislav Gobec, Péter Ábrányi-Balogh
المصدر: Journal of Computer-Aided Molecular Design
مصطلحات موضوعية: Virtual screening, Protein Conformation, Covalent docking, Ligands, 01 natural sciences, Article, Covalent inhibitors, Cathepsin B, Proto-Oncogene Proteins p21(ras), Structure-Activity Relationship, 03 medical and health sciences, Mura, Docking (dog), Drug Discovery, Reactivity (chemistry), Amino Acid Sequence, Cysteine, Enzyme Inhibitors, Physical and Theoretical Chemistry, Protocol (object-oriented programming), 030304 developmental biology, 0303 health sciences, Alkyl and Aryl Transferases, Binding Sites, 010405 organic chemistry, Chemistry, Warhead reactivity, Ligand (biochemistry), Glutathione, Combinatorial chemistry, 0104 chemical sciences, Computer Science Applications, Molecular Docking Simulation, Covalent bond, Electrophile, Software, Protein Binding
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المؤلفون: György M. Keserű, György G. Ferenczy, Andrea Scarpino
المصدر: Current Pharmaceutical Design. 26:5684-5699
مصطلحات موضوعية: Pharmacology, 0303 health sciences, Virtual screening, Binding Sites, Chemistry, Drug discovery, Ligands, 01 natural sciences, Combinatorial chemistry, 0104 chemical sciences, Molecular Docking Simulation, 010404 medicinal & biomolecular chemistry, 03 medical and health sciences, Chemical bond, Docking (molecular), Covalent bond, Drug Discovery, Humans, Current technology, Prospective Studies, Retrospective Studies, 030304 developmental biology, Reaction site
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::26225790de5bcfbd75f063298413b20d
https://doi.org/10.2174/1381612824999201105164942 -
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المؤلفون: Andrea, Scarpino, György G, Ferenczy, György M, Keserű
المصدر: Methods in molecular biology (Clifton, N.J.). 2266
مصطلحات موضوعية: Models, Molecular, Binding Sites, Molecular Conformation, Proteins, Ligands, Molecular Docking Simulation, Proto-Oncogene Proteins p21(ras), Structure-Activity Relationship, Computational Chemistry, Drug Discovery, Databases, Protein, Algorithms, Software, Protein Binding
URL الوصول: https://explore.openaire.eu/search/publication?articleId=pmid________::fa8e0cce580d3ac768a6081fce46f697
https://pubmed.ncbi.nlm.nih.gov/33759121 -
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المؤلفون: Andrea Scarpino, György G. Ferenczy, György M. Keserű
المصدر: Methods in Molecular Biology ISBN: 9781071612088
مصطلحات موضوعية: 0303 health sciences, Virtual screening, Drug discovery, Chemistry, 01 natural sciences, Combinatorial chemistry, 0104 chemical sciences, 010404 medicinal & biomolecular chemistry, 03 medical and health sciences, Warhead, Nucleophile, Docking (molecular), Covalent bond, Electrophile, Reactivity (chemistry), 030304 developmental biology
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::abc7a62d1c46907ce15ffd5a207bc9c9
https://doi.org/10.1007/978-1-0716-1209-5_4 -
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المؤلفون: FLAVIO BALLANTE, Andrea Scarpino
المصدر: Methods in Molecular Biology ISBN: 9781071612088
مصطلحات موضوعية: Drug, ComputingMethodologies_PATTERNRECOGNITION, Drug discovery, Computer science, media_common.quotation_subject, education, Computational biology, media_common, Protein ligand
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::bbb0d7480eb504328ff7efee8944d2be
https://doi.org/10.1007/978-1-0716-1209-5 -
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المؤلفون: Adriano Martinelli, Tiziano Tuccinardi, Giulio Poli, Filippo Minutolo, Carlotta Granchi, Andrea Scarpino, Mohamed Aissaoui
المصدر: Current Bioactive Compounds. 14:197-204
مصطلحات موضوعية: Virtual screening, 010405 organic chemistry, Chemistry, hit identification, virtual screening, 01 natural sciences, molecular dynamic simulations, LDH inhibitors, 0104 chemical sciences, 010404 medicinal & biomolecular chemistry, chemistry.chemical_compound, Biochemistry, Docking (molecular), Lactate dehydrogenase, docking, pharmacophore modeling, General Pharmacology, Toxicology and Pharmaceutics, Pharmacophore, LDH inhibitors, virtual screening, docking, molecular dynamic simulations, pharmacophore modeling, hit identification
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5fb8a73126c04bc8871e04a4467cee49
https://doi.org/10.2174/1573407213666170208102317 -
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المؤلفون: György G. Ferenczy, Andrea Scarpino, György M. Keserű
المصدر: Journal of Chemical Information and Modeling. 58:1441-1458
مصطلحات موضوعية: 0301 basic medicine, Protein Conformation, General Chemical Engineering, Library and Information Sciences, Ligands, 01 natural sciences, Comparative evaluation, 03 medical and health sciences, Protein structure, Nucleophile, Databases, Protein, 010405 organic chemistry, Chemistry, Drug discovery, Ligand, Proteins, General Chemistry, Combinatorial chemistry, 0104 chemical sciences, Computer Science Applications, Molecular Docking Simulation, 030104 developmental biology, Docking (molecular), Covalent bond, Thermodynamics, Algorithms, Software, Protein Binding
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