Matteo Masetti

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Andrea CavalliDirector, CECAM-EPFL - Professor, University of BolognaZweryfikowany adres z unibo.it
Maurizio RecanatiniRetired Professor of Medicinal Chemistry, University of BolognaZweryfikowany adres z unibo.it
Mattia BernettiUniUrbZweryfikowany adres z uniurb.it
Giovanni BottegoniUniversity of UrbinoZweryfikowany adres z uniurb.it
Walter RocchiaSenior Researcher at Italian Institute of TechnologyZweryfikowany adres z iit.it
Marco De VivoIstituto Italiano di TecnologiaZweryfikowany adres z iit.it
Martina BertazzoEvotecZweryfikowany adres z evotec.com
Federico FalchiDipartimento di Farmacia e Biotecnologie - Università di BolognaZweryfikowany adres z unibo.it
Dario GioiaIstituto Italiano di TecnologiaZweryfikowany adres z iit.it
Luca GuerriniAssociate Professor, Universitat Rovira I Virgili (Spain)Zweryfikowany adres z urv.cat
Ramon Alvarez PueblaICREA Professor at Universitat Rovira i VirgiliZweryfikowany adres z urv.cat
Francesco MusianiDepartment of Pharmacy and Biotechnology, University of BolognaZweryfikowany adres z unibo.it
Stefano CiurliUniversity of BolognaZweryfikowany adres z unibo.it
Davide BranduardiComputational Chemistry & Informatics Group at AstexZweryfikowany adres z astx.com
Giovanni Paolo Di MartinoIstituto Italiano di Tecnologia, D3 via Morego 30, 16163 Genova (Italy)Zweryfikowany adres z iit.it
Simone FuriniUniversity of BolognaZweryfikowany adres z unibo.it
mariarosaria ferraroMolecular Discovery LtdZweryfikowany adres z moldiscovery.com
Javier LuqueUniversity of Barcelona - Institut of BiomedicineZweryfikowany adres z ub.edu
Carmen DomeneUniversity of BathZweryfikowany adres z bath.ac.uk
Doris A. SchuetzPrincipal Scientist at the IRIC - Université de MontréalZweryfikowany adres z umontreal.ca

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Matteo Masetti

Dipartimento di Farmacia e Biotecnologie, Alma Mater Studiorum - Università di Bologna

Zweryfikowany adres z unibo.it

Computational Medicinal Chemistry


Tytuł Sortuj wg cytatów Sortuj wg roku Sortuj wg tytułu	Cytowane przez Cytowane przez	Rok
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	1214	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	816	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	361	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	228	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	177	2017
Kinetics of Drug Binding and Residence Time M Bernetti, M Masetti, W Rocchia, A Cavalli Annual Review of Physical Chemistry 70, 2019	138	2019
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	105	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	96	2015
Protein flexibility in drug discovery: from theory to computation R Buonfiglio, M Recanatini, M Masetti ChemMedChem 10 (7), 1141-1148, 2015	86	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	79	2009
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	74	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	70	2015
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	63	2008
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	58	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	57	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	56	2008
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	54	2019
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	49	2006
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	45	2011
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	42	2012

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