Masetti, Matteo; Berti, Claudio; Ocello, Riccardo; Di Martino, Giovanni Paolo; Recanatini, Maurizio; Fiegna, Claudio; Cavalli, Andrea, Multiscale Simulations of a Two-Pore Potassium Channel, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2016, 12, pp. 5681 - 5687 [Scientific article]
DE VIVO, Marco; Masetti, Matteo; Bottegoni, Giovanni; Cavalli, Andrea, Role of Molecular Dynamics and Related Methods in Drug Discovery, «JOURNAL OF MEDICINAL CHEMISTRY», 2016, 59, pp. 4035 - 4061 [Scientific article]Open Access
Giacomini, E.; Buonfiglio, R.; Masetti, M.; Wang, Y.; Tseng, G.-N.; Roberti, M.; Recanatini, M., A ligand-based virtual screening approach to identify small molecules as hERG channel activators, «COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING», 2015, 18, pp. 269 - 280 [Scientific article]
Sebastiano Rupiani; Rosa Buonfiglio; Marcella Manerba; Lorenza Di Ianni; Marina Vettraino; Elisa Giacomini; Matteo Masetti; Federico Falchi; Giuseppina Di Stefano; Marinella Roberti; Maurizio Recanatini, Identification of N-acylhydrazone derivatives as novel lactate dehydrogenase A inhibitors, «EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY», 2015, 101, pp. 63 - 70 [Scientific article]
Decherchi, Sergio; Masetti, Matteo; Vyalov, Ivan; Rocchia, Walter, Implicit solvent methods for free energy estimation, «EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY», 2015, 91, pp. 27 - 42 [Scientific article]
Ferraro, M; Masetti, M.; Recanatini, M.; Cavalli, A.; Bottegoni, G., Modeling lipid raft domains containing a mono-unsaturated phosphatidylethanolamine species, «RSC ADVANCES», 2015, 5, pp. 37102 - 37111 [Scientific article]
Buonfiglio, Rosa; Recanatini, Maurizio; Masetti, Matteo, Protein flexibility in drug discovery: From theory to computation, «CHEMMEDCHEM», 2015, 10, pp. 1141 - 1148 [Scientific article]
Masetti, Matteo; Xie, Hai-Nan; Krpetić, Željka; Recanatini, Maurizio; Alvarez-Puebla, Ramon A.; Guerrini, Luca, Revealing DNA interactions with exogenous agents by surface-enhanced raman scattering, «JOURNAL OF THE AMERICAN CHEMICAL SOCIETY», 2015, 137, pp. 469 - 476 [Scientific article]
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]
