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1دورية أكاديمية
المؤلفون: Margiotta, Enrico, Deganutti, GiuseppeAff1, Aff2, Moro, StefanoAff1
المصدر: Journal of Computer-Aided Molecular Design: Incorporating Perspectives in Drug Discovery and Design. 32(12):1337-1346
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2دورية أكاديمية
المؤلفون: Salmaso, Veronica, Sturlese, Mattia, Cuzzolin, Alberto, Moro, Stefano
المصدر: Journal of Computer-Aided Molecular Design: Incorporating Perspectives in Drug Discovery and Design. :1-14
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3دورية أكاديمية
المؤلفون: Salmaso, Veronica, Sturlese, Mattia, Cuzzolin, Alberto, Moro, Stefano
المصدر: Journal of Computer-Aided Molecular Design: Incorporating Perspectives in Drug Discovery and Design. September 2016 30(9):773-789
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4دورية أكاديمية
المصدر: International Journal of Molecular Sciences, Vol 20, Iss 14, p 3558 (2019)
مصطلحات موضوعية: molecular docking, docking benchmark, DockBench, virtual screening, Biology (General), QH301-705.5, Chemistry, QD1-999
وصف الملف: electronic resource
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5
المؤلفون: Enrico Margiotta, Giuseppe Deganutti, Stefano Moro
المصدر: Journal of Computer-Aided Molecular Design. 32:1337-1346
مصطلحات موضوعية: 0301 basic medicine, A2A adenosine receptor, Sodium, Allosteric regulation, chemistry.chemical_element, 010402 general chemistry, 01 natural sciences, 03 medical and health sciences, Drug Discovery, Physical and Theoretical Chemistry, Binding site, Virtual screening, Dockbench, Molecular docking, Pose accuracy, Pose precision, Sodium ion binding, Drug Discovery3003 Pharmaceutical Science, Ligand, Chemistry, Combinatorial chemistry, 0104 chemical sciences, Computer Science Applications, 030104 developmental biology, Solvation shell, Docking (molecular)
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6
المؤلفون: Veronica Salmaso, Stefano Moro, Alberto Cuzzolin, Mattia Sturlese
المصدر: Journal of Computer-Aided Molecular Design. 32:251-264
مصطلحات موضوعية: DockBench, 0301 basic medicine, Protein Conformation, Computer science, Receptors, Cytoplasmic and Nuclear, Ligands, Machine learning, computer.software_genre, 01 natural sciences, Self-docking, Small Molecule Libraries, Docking benchmark, 03 medical and health sciences, Software, D3R Grand Challenge 2, Drug Discovery, Humans, Physical and Theoretical Chemistry, Databases, Protein, Simulation, Lead Finder, Binding Sites, Cross-docking, Molecular docking, Drug Discovery3003 Pharmaceutical Science, business.industry, 0104 chemical sciences, Computer Science Applications, Molecular Docking Simulation, Benchmarking, 010404 medicinal & biomolecular chemistry, 030104 developmental biology, Protein–ligand docking, Docking (molecular), Drug Design, Computer-Aided Design, Thermodynamics, Pose prediction, Artificial intelligence, business, computer, Target binding, Protein Binding
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المؤلفون: Mattia Sturlese, Stefano Moro, Veronica Salmaso, Alberto Cuzzolin
المصدر: Journal of Computer-Aided Molecular Design. 30:773-789
مصطلحات موضوعية: DockBench, 0301 basic medicine, Protein Conformation, Computer science, Molecular Dynamics Simulation, Crystallography, X-Ray, Ligands, Machine learning, computer.software_genre, D3R Grand Challenge 2015, Structure-Activity Relationship, Docking benchmark, 03 medical and health sciences, Drug Discovery, Humans, HSP90 Heat-Shock Proteins, Overall performance, Blind prediction, Physical and Theoretical Chemistry, Simulation, Lead Finder, Binding Sites, Molecular docking, Drug Discovery3003 Pharmaceutical Science, business.industry, Scoring methods, Proteins, Computer Science Applications, 030104 developmental biology, Protein–ligand docking, Docking (molecular), Drug Design, Thermodynamics, Pose prediction, Artificial intelligence, business, computer, Protein Binding
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8
المصدر: International Journal of Molecular Sciences, Vol 20, Iss 14, p 3558 (2019)
International Journal of Molecular Sciences
Volume 20
Issue 14مصطلحات موضوعية: DockBench, 0301 basic medicine, 030103 biophysics, Computer science, Protein Data Bank (RCSB PDB), computer.software_genre, Article, Catalysis, lcsh:Chemistry, Inorganic Chemistry, 03 medical and health sciences, Physical and Theoretical Chemistry, Databases, Protein, lcsh:QH301-705.5, Molecular Biology, Spectroscopy, Virtual screening, Database, Drug discovery, Organic Chemistry, molecular docking, General Medicine, computer.file_format, virtual screening, Protein Data Bank, docking benchmark, Computer Science Applications, Molecular Docking Simulation, 030104 developmental biology, lcsh:Biology (General), lcsh:QD1-999, Docking (molecular), computer
وصف الملف: application/pdf
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9دورية أكاديمية
لا يتم عرض هذه النتيجة على الضيوف.
تسجيل الدخول للوصول الكامل. -
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المؤلفون: Davide Sabbadin, Stefano Moro, Alberto Cuzzolin, Giuseppe Deganutti, Veronica Salmaso, Antonella Ciancetta, Mattia Sturlese, Andrea Cristiani
المصدر: Molecular informatics. 35(8-9)
مصطلحات موضوعية: 0301 basic medicine, DockBench, Models, Molecular, Research groups, Molecular model, Computer science, Adenosine Receptors, Nanotechnology, Computational biology, Molecular Dynamics Simulation, Molecular Dynamics, Ligands, Molecular Docking Simulation, G-protein Coupled Receptors (GPCRs), NO, Receptors, G-Protein-Coupled, 03 medical and health sciences, Molecular dynamics, Structural Biology, Drug Discovery, Humans, Homology modeling, Binding Sites, Homology Modeling, Drug Discovery3003 Pharmaceutical Science, Organic Chemistry, Supervised Molecular Dynamics, Computer Science Applications1707 Computer Vision and Pattern Recognition, Ligand (biochemistry), Computer Science Applications, Molecular Docking, 030104 developmental biology, Structural biology, Docking (molecular), Molecular Medicine, Protein Binding