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The Journal of Physical Chemistry. B|May 1, 2012
A novel approach to the investigation of passive molecular permeation through lipid bilayers from atomistic simulationsZhaleh Ghaemi, Manuela Minozzi, Paolo Carloni, et al.Journal of the American Chemical Society|August 16, 2021
Water-Triggered, Irreversible Conformational Change of SARS-CoV-2 Main Protease on Passing from the Solid State to Aqueous SolutionNarjes Ansari, Valerio Rizzi, Paolo Carloni, et al.Journal of Chemical Theory and Computation|February 15, 2019
Open-Boundary Molecular Mechanics/Coarse-Grained Framework for Simulations of Low-Resolution G-Protein-Coupled Receptor-Ligand ComplexesThomas Tarenzi, Vania Calandrini, Raffaello Potestio, et al.British Journal of Pharmacology|September 25, 2003
A structural model of agonist binding to the alpha3beta4 neuronal nicotinic receptorValeria Costa, Andrea Nistri, Andrea Cavalli, et al.Journal of the American Chemical Society|July 27, 2006
Convergent dynamics in the protease enzymatic superfamilyVincenzo Carnevale, Simone Raugei, Cristian Micheletti, et al.Journal of Molecular Biology|June 27, 2002
Amino acid modification in the HIV-1 Tat basic domain: insights from molecular dynamics and in vivo functional studiesSergio Pantano, Mudit Tyagi, Mauro Giacca, et al.Inorganic Chemistry|July 8, 2003
Protonation state of Asp120 in the binuclear active site of the metallo-beta-lactamase from Bacteroides fragilisMatteo Dal Peraro, Alejandro J Vila, Paolo CarloniProteins|July 17, 2003
Molecular modeling studies on CNG channel from bovine retinal rod: a structural model of the cyclic nucleotide-binding domainMarco Punta, Andrea Cavalli, Vincent Torre, et al.Journal of the American Chemical Society|August 4, 2009
Substrate binding mechanism of HIV-1 protease from explicit-solvent atomistic simulationsFabio Pietrucci, Fabrizio Marinelli, Paolo Carloni, et al.Journal of Chemical Theory and Computation|February 21, 2024
All-Atom Biomolecular Simulation in the Exascale EraThomas L Beck, Paolo Carloni, Dilipkumar N AsthagiriPageof 846