Matteo Masetti
Matteo Masetti
Dipartimento di Farmacia e Biotecnologie, Alma Mater Studiorum - Università di Bologna
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Role of molecular dynamics and related methods in drug discovery
M De Vivo, M Masetti, G Bottegoni, A Cavalli
Journal of medicinal chemistry 59 (9), 4035-4061, 2016
Promoting transparency and reproducibility in enhanced molecular simulations
M Bonomi, G Bussi, C Camilloni, GA Tribello, P Banáš, A Barducci, ...
Nature Methods 16 (8), 670–673, 2019
QT prolongation through hERG K+ channel blockade: Current knowledge and strategies for the early prediction during drug development
M Recanatini, E Poluzzi, M Masetti, A Cavalli, F De Ponti
Medicinal research reviews 25 (2), 133-166, 2005
A catalytically silent FAAH-1 variant drives anandamide transport in neurons
J Fu, G Bottegoni, O Sasso, R Bertorelli, W Rocchia, M Masetti, A Guijarro, ...
Nature neuroscience 15 (1), 64-69, 2012
Dynamic docking: a paradigm shift in computational drug discovery
D Gioia, M Bertazzo, M Recanatini, M Masetti, A Cavalli
Molecules 22 (11), 2029, 2017
Three‐dimensional model of the human aromatase enzyme and density functional parameterization of the iron‐containing protoporphyrin IX for a molecular dynamics study of heme …
AD Favia, A Cavalli, M Masetti, A Carotti, M Recanatini
Proteins: Structure, Function, and Bioinformatics 62 (4), 1074-1087, 2006
Revealing DNA interactions with exogenous agents by surface-enhanced Raman scattering
M Masetti, H Xie, Z Krpetić, M Recanatini, RA Alvarez-Puebla, L Guerrini
Journal of the American Chemical Society 137 (1), 469-476, 2015
Kinetics of Drug Binding and Residence Time
M Bernetti, M Masetti, W Rocchia, A Cavalli
Annual Review of Physical Chemistry 70, 2019
Protein flexibility in drug discovery: from theory to computation
R Buonfiglio, M Recanatini, M Masetti
ChemMedChem 10 (7), 1141-1148, 2015
Exploring Complex Protein− Ligand Recognition Mechanisms with Coarse Metadynamics
M Masetti, A Cavalli, M Recanatini, FL Gervasio
The journal of physical chemistry B 113 (14), 4807-4816, 2009
Modeling HERG and its interactions with drugs: recent advances in light of current potassium channel simulations
M Recanatini, A Cavalli, M Masetti
ChemMedChem: Chemistry Enabling Drug Discovery 3 (4), 523-535, 2008
Predicting Residence Time and Drug Unbinding Pathway through Scaled Molecular Dynamics
DA Schuetz, M Bernetti, M Bertazzo, D Musil, HM Eggenweiler, ...
Journal of Chemical Information and Modeling 59 (1), 535-549, 2019
Implicit solvent methods for free energy estimation
S Decherchi, M Masetti, I Vyalov, W Rocchia
European journal of medicinal chemistry 91, 27-42, 2015
Conformational SERS Classification of K‐Ras Point Mutations for Cancer Diagnostics
J Morla‐Folch, P Gisbert‐Quilis, M Masetti, E Garcia‐Rico, ...
Angewandte Chemie 129 (9), 2421-2425, 2017
Kinetic and thermochemical study of the antioxidant activity of sulfur‐containing analogues of vitamin E
R Amorati, A Cavalli, MG Fumo, M Masetti, S Menichetti, C Pagliuca, ...
Chemistry–A European Journal 13 (29), 8223-8230, 2007
Modeling the hERG potassium channel in a phospholipid bilayer: Molecular dynamics and drug docking studies
M Masetti, A Cavalli, M Recanatini
Journal of computational chemistry 29 (5), 795-808, 2008
Density functional studies on the Nazarov reaction involving cyclic systems
A Cavalli, M Masetti, M Recanatini, C Prandi, A Guarna, EG Occhiato
Chemistry–A European Journal 12 (10), 2836-2845, 2006
Computational design and discovery of “minimally structured” hERG blockers
A Cavalli, R Buonfiglio, C Ianni, M Masetti, L Ceccarini, R Caves, ...
Journal of Medicinal Chemistry 55 (8), 4010-4014, 2012
Covalent inhibitors of fatty acid amide hydrolase: a rationale for the activity of piperidine and piperazine aryl ureas
G Palermo, D Branduardi, M Masetti, A Lodola, M Mor, D Piomelli, ...
Journal of medicinal chemistry 54 (19), 6612-6623, 2011
An Integrated Markov State Model and Path Metadynamics Approach To Characterize Drug Binding Processes
M Bernetti, M Masetti, M Recanatini, RE Amaro, A Cavalli
Journal of Chemical Theory and Computation 15 (10), 5689-5702, 2019
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