Giovanni Paolo Di Martino;Matteo Masetti;Andrea Cavalli;Maurizio Recanatini, Mechanistic insights into Pin1 peptidyl-prolyl cis-trans isomerization from umbrella sampling simulations., «PROTEINS», 2014, 82, pp. 2943 - 2956 [Scientific article]
Matteo Masetti; Walter Rocchia, Molecular mechanics and dynamics: numerical tools to sample the configuration space, «FRONTIERS IN BIOSCIENCE», 2014, 19, pp. 578 - 604 [Scientific article]
Matteo Masetti;Federico Falchi;Maurizio Recanatini, Protein Dynamics of the HIF-2α PAS-B Domain upon Heterodimerization and Ligand Binding, «PLOS ONE», 2014, 9, pp. e94986 - e94986 [Scientific article]Open Access
Di Martino G. P.; Masetti M.; Ceccarini L.; Cavalli A.; Recanatini M., An automated docking protocol for HERG channel blockers., «JOURNAL OF CHEMICAL INFORMATION AND MODELING», 2013, 53, pp. 159 - 175 [Scientific article]
R. Buonfiglio; M. Ferraro; F. Falchi; A. Cavalli; M. Masetti; M. Recanatini, Collecting and assessing human lactate dehydrogenase-A conformations for structure-based virtual screening, «JOURNAL OF CHEMICAL INFORMATION AND MODELING», 2013, 53, pp. 2792 - 2797 [Scientific article]
Fu J.; Bottegoni G.; Sasso O.; Bertorelli R.; Rocchia W.; Masetti M.; Guijarro A.; Lodola A.; Armirotti A.; Garau G.; Bandiera T.; Reggiani A.; Mor M.; Cavalli A.; Piomelli D., A catalytically silent FAAH-1 variant drives anandamide transport in neurons., «NATURE NEUROSCIENCE», 2012, 15, pp. 64 - 69 [Scientific article]
Kacker P.; Masetti M.; Mangold M.; Bottegoni G.; Cavalli A., Combining Dyad Protonation and Active Site Plasticity in BACE-1
Structure-Based Drug Design, «JOURNAL OF CHEMICAL INFORMATION AND MODELING», 2012, 52, pp. 1079 - 1085 [Scientific article]
Cavalli A.; Buonfiglio R.; Ianni C.; Masetti M.; Ceccarini L.; Caves R.; Chang M.W.; Mitcheson J.S.; Roberti M.; Recanatini M., Computational design and discovery of "minimally structured" hERG blockers., «JOURNAL OF MEDICINAL CHEMISTRY», 2012, 55, pp. 4010 - 4014 [Scientific article]
Rocchia W.; Masetti M.; Cavalli A., Enhanced sampling methods in drug design, in: Physico-Chemical and Computational Approaches to Drug Discovery, CAMBRIDGE, RSC Publishing, 2012, pp. 273 - 301 [Chapter or essay]
Ceccarini L.; Masetti M.; Cavalli A.; Recanatini M., Ion Conduction through the hERG Potassium Channel, «PLOS ONE», 2012, 7, pp. e49017 - e49027 [Scientific article]
Vummaleti S.V.C.; Branduardi D.; Masetti M.; De Vivo M.; Motterlini R.; Cavalli A., Theoretical Insights into the Mechanism of Carbon Monoxide (CO) Release
from CO-Releasing Molecules, «CHEMISTRY-A EUROPEAN JOURNAL», 2012, 18, pp. 9267 - 9275 [Scientific article]
Palermo G.; Branduardi D.; Masetti M.; Lodola A.; Mor M.; Piomelli D.; Cavalli A.; De Vivo M., Covalent Inhibitors of Fatty Acid Amide Hydrolase: A Rationale for the Activity of Piperidine and Piperazine Aryl Ureas, «JOURNAL OF MEDICINAL CHEMISTRY», 2011, 54, pp. 6612 - 6623 [Scientific article]
Patel J.S.; Branduardi D.; Masetti M.; Rocchia W.; Cavalli A., Insights into Ligand-Protein Binding from Local Mechanical Response, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2011, 7, pp. 3368 - 3378 [Scientific article]
Favia A.D.; Masetti M.; Recanatini M.; Cavalli A., Substrate Binding Process and Mechanistic Functioning
of Type 1 11beta-Hydroxysteroid Dehydrogenase from
Enhanced Sampling Methods, «PLOS ONE», 2011, 6, pp. e25375 - e25375 [Scientific article]
Masetti M.; Cavalli A.; Recanatini M.; Gervasio F. L., Exploring complex protein-ligand recognition mechanisms with coarse metadynamics, «JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL», 2009, 113, pp. 4807 - 4816 [Scientific article]
