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Journal of Computational Chemistry|May 31, 2017
Development of a multisite model for Ni(II) ion in solution from thermodynamic and kinetic dataMatteo Masetti, Francesco Musiani, Mattia Bernetti, et al.Journal of Chemical Information and Modeling|October 20, 2018
Binding Residence Time through Scaled Molecular Dynamics: A Prospective Application to hDAAO InhibitorsMattia Bernetti, Elena Rosini, Luca Mollica, et al.Journal of Chemical Theory and Computation|April 6, 2017
Protein Tunnels: The Case of Urease Accessory ProteinsFrancesco Musiani, Dario Gioia, Matteo Masetti, et al.Frontiers in Molecular Biosciences|September 16, 2016
dMM-PBSA: A New HADDOCK Scoring Function for Protein-Peptide DockingDimitrios Spiliotopoulos, Panagiotis L Kastritis, Adrien S J Melquiond, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|June 26, 2012
Theoretical insights into the mechanism of carbon monoxide (CO) release from CO-releasing moleculesSai Vikrama Chaitanya Vummaleti, Davide Branduardi, Matteo Masetti, et al.Journal of the American Chemical Society|December 16, 2014
Revealing DNA interactions with exogenous agents by surface-enhanced Raman scatteringMatteo Masetti, Hai-nan Xie, Željka Krpetić, et al.Combinatorial Chemistry & High Throughput Screening|March 10, 2015
A ligand-based virtual screening approach to identify small molecules as HERG channel activatorsElisa Giacomini, Rosa Buonfiglio, Matteo Masetti, et al.Chemical Communications (Cambridge, England)|November 24, 2023
Theoretical analysis of divalent cation effects on aptamer recognition of neurotransmitter targetsAli Douaki, Annina Stuber, Julian Hengsteler, et al.Journal of Medicinal Chemistry|December 25, 2015
Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental StudiesRoberto Gaspari, Chris Rechlin, Andreas Heine, et al.Journal of Chemical Theory and Computation|December 14, 2016
Multiscale Simulations of a Two-Pore Potassium ChannelMatteo Masetti, Claudio Berti, Riccardo Ocello, et al.Pageof 13