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1دورية أكاديمية
المصدر: Frontiers in Pharmacology, Vol 13 (2022)
مصطلحات موضوعية: druggability prediction, drug design, machine learning, unsupervised methods, one-class classification, import vector domain description, Therapeutics. Pharmacology, RM1-950
وصف الملف: electronic resource
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2دورية أكاديمية
المؤلفون: Mattia Bernetti, Martina Bertazzo, Matteo Masetti
المصدر: Pharmaceuticals, Vol 13, Iss 9, p 253 (2020)
مصطلحات موضوعية: machine learning, dimensionality reduction, reaction coordinates, collective variables, Markov state models, maximum entropy principle, Medicine, Pharmacy and materia medica, RS1-441
وصف الملف: electronic resource
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3دورية أكاديمية
المصدر: Molecules, Vol 22, Iss 11, p 2029 (2017)
مصطلحات موضوعية: protein-ligand binding, molecular dynamics, enhanced sampling, binding kinetics, drug discovery, Organic chemistry, QD241-441
وصف الملف: electronic resource
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المؤلفون: Dorothea Gobbo, Martina Bertazzo, Andrea Cavalli, Sergio Decherchi
المساهمون: Bertazzo M., Gobbo D., Decherchi S., Cavalli A.
المصدر: Journal of Chemical Theory and Computation
مصطلحات موضوعية: Bridged-Ring Compounds, Computer science, Computation, Ligand, Molecular Dynamics Simulation, Machine learning, computer.software_genre, Ligands, Article, Machine Learning, Molecular dynamics, Thermodynamic, Limit (mathematics), Physical and Theoretical Chemistry, Potential of mean force, Imidazole, Glycogen Synthase Kinase 3 beta, business.industry, Imidazoles, Computer Science Applications, Bridged-Ring Compound, Variable (computer science), Path (graph theory), Thermodynamics, Artificial intelligence, business, computer, Energy (signal processing), Free parameter, Protein Binding
وصف الملف: ELETTRONICO
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5
المؤلفون: Matteo Masetti, Maurizio Recanatini, Gerhard F. Ecker, Doris A. Schuetz, Martina Bertazzo, Djordje Musil, Mattia Bernetti, Hans-Michael Eggenweiler, Andrea Cavalli
المساهمون: Schuetz, Doris A., Bernetti, Mattia, Bertazzo, Martina, Musil, Djordje, Eggenweiler, Hans-Michael, Recanatini, Maurizio, Masetti, Matteo, Ecker, Gerhard F., Cavalli, Andrea
مصطلحات موضوعية: Protein Conformation, Computer science, General Chemical Engineering, Molecular Dynamics Simulation, Library and Information Sciences, Ligands, 01 natural sciences, Molecular dynamics, 0103 physical sciences, Humans, Chemical Engineering (all), HSP90 Heat-Shock Proteins, 010304 chemical physics, Drug discovery, Dimensionality reduction, Chemistry (all), Experimental data, Computer Science Applications1707 Computer Vision and Pattern Recognition, General Chemistry, 0104 chemical sciences, Computer Science Applications, Kinetics, 010404 medicinal & biomolecular chemistry, Pharmaceutical Preparations, Biological system, Protein Binding
وصف الملف: ELETTRONICO
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a7036ca7646c0798c9c77cafa217a0c5
http://hdl.handle.net/11585/659863 -
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المساهمون: Bertazzo, Martina, Bernetti, Mattia, Recanatini, Maurizio, Masetti, Matteo, Cavalli, Andrea
مصطلحات موضوعية: 0301 basic medicine, Binding Sites, 010304 chemical physics, Drug discovery, Computer science, General Chemical Engineering, Proteins, Binding process, General Chemistry, Molecular Dynamics Simulation, Library and Information Sciences, Ligands, 01 natural sciences, Computer Science Applications, Reaction coordinate, 03 medical and health sciences, Molecular dynamics, 030104 developmental biology, Docking (molecular), 0103 physical sciences, dynamic docking, potential-scaled MD, molecular dynamics, protein-ligand binding, Biological system, Protein Binding
وصف الملف: ELETTRONICO
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::778f307924fa01cc57a87dfc2023006f
http://hdl.handle.net/11585/630020 -
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المؤلفون: Andrea Cavalli, D. Gioia, Matteo Masetti, Maurizio Recanatini, Martina Bertazzo
المساهمون: Gioia, Dario, Bertazzo, Martina, Recanatini, Maurizio, Masetti, Matteo, Cavalli, Andrea
المصدر: Molecules : A Journal of Synthetic Chemistry and Natural Product Chemistry
Molecules, Vol 22, Iss 11, p 2029 (2017)مصطلحات موضوعية: Models, Molecular, 0301 basic medicine, In silico, Pharmaceutical Science, Nanotechnology, Review, Molecular Dynamics Simulation, Ligands, Analytical Chemistry, lcsh:QD241-441, 03 medical and health sciences, Molecular dynamics, binding kinetic, lcsh:Organic chemistry, Drug Discovery, binding kinetics, Computer Simulation, Physical and Theoretical Chemistry, Lead Finder, Drug discovery, Chemistry, molecular dynamic, Organic Chemistry, Proteins, molecular dynamics, enhanced sampling, Molecular Docking Simulation, 030104 developmental biology, Protein–ligand docking, Chemistry (miscellaneous), Docking (molecular), Paradigm shift, Macromolecular Complexes, Molecular Medicine, Biochemical engineering, Algorithms, Protein Binding, protein-ligand binding
وصف الملف: ELETTRONICO