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Proteins|April 23, 2004
Accurate and efficient description of protein vibrational dynamics: comparing molecular dynamics and Gaussian modelsCristian Micheletti, Paolo Carloni, Amos MaritanJournal of Chemical Theory and Computation|December 3, 2015
Nitrogen Fixation by a Molybdenum Catalyst Mimicking the Function of the Nitrogenase Enzyme: A Critical Evaluation of DFT and Solvent EffectsAlessandra Magistrato, Arturo Robertazzi, Paolo CarloniJournal of Chemical Theory and Computation|December 2, 2015
Anthrax Lethal Factor Investigated by Molecular SimulationsRolando Hong, Alessandra Magistrato, Paolo CarloniThe Journal of Physical Chemistry. B|January 25, 2007
Catabolite activator protein in aqueous solution: a molecular simulation studyMarco Berrera, Sergio Pantano, Paolo CarloniProteins|October 18, 2006
Origin of functional diversity among tetrameric voltage-gated channelsClaudio Anselmi, Paolo Carloni, Vincent TorreJournal of Molecular Biology|June 8, 2002
Role of conformational fluctuations in the enzymatic reaction of HIV-1 proteaseStefano Piana, Paolo Carloni, Michele ParrinelloCurrent Topics in Medicinal Chemistry|September 25, 2013
Computational studies on the prion proteinGiulia Rossetti, Salvatore Bongarzone, Paolo CarloniPhysical Chemistry Chemical Physics : PCCP|August 8, 2014
Statistical analysis of σ-holes: a novel complementary view on halogen bondingMichal H Kolář, Paolo Carloni, Pavel HobzaPhysical Review Letters|September 13, 2002
Electronic structure of wet DNAFrancesco Luigi Gervasio, Paolo Carloni, Michele ParrinelloPlos One|June 26, 2025
Metal coordination and enzymatic reaction of the glioma-target R132H isocitrate dehydrogenase 1: Insights by molecular simulationsBharath Raghavan, Marco De Vivo, Paolo CarloniPageof 845