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Journal of the American Chemical Society|February 21, 2008
Computational study of thymine dimer radical anion splitting in the self-repair process of duplex DNAFanny Masson, Teodoro Laino, Ivano Tavernelli, et al.Journal of Chemical Theory and Computation|December 22, 2016
Development of Site-Specific Mg(2+)-RNA Force Field Parameters: A Dream or Reality? Guidelines from Combined Molecular Dynamics and Quantum Mechanics SimulationsLorenzo Casalino, Giulia Palermo, Nodira Abdurakhmonova, et al.The Journal of Chemical Physics|March 4, 2026
Atom-centered electric multipole moments dynamically generated from QM/MM MD simulationsAndrea Levy, Andrej Antalík, Jógvan Magnus Haugaard Olsen, et al.Plos One|August 6, 2011
Quantitative photo activated localization microscopy: unraveling the effects of photoblinkingPaolo Annibale, Stefano Vanni, Marco Scarselli, et al.Biotechnology and Bioengineering|September 20, 2011
Integrating computational methods to retrofit enzymes to synthetic pathwaysElizabeth Brunk, Marilisa Neri, Ivano Tavernelli, et al.The Journal of Physical Chemistry. B|April 27, 2007
NMR solvent shifts of adenine in aqueous solution from hybrid QM/MM molecular dynamics simulationsSittipong Komin, Christian Gossens, Ivano Tavernelli, et al.Journal of Chemical Theory and Computation|November 20, 2015
Rhodopsin Absorption from First Principles: Bypassing Common PitfallsOmar Valsson, Pablo Campomanes, Ivano Tavernelli, et al.Proceedings of the National Academy of Sciences of the United States of America|December 21, 2006
Role of protein frame and solvent for the redox properties of azurin from Pseudomonas aeruginosaMichele Cascella, Alessandra Magistrato, Ivano Tavernelli, et al.Journal of Chemical Information and Modeling|June 23, 2025
OpenMM-MiMiC Interface for Efficient and Flexible Multiscale SimulationsAndrea Levy, Andrej Antalík, Jógvan Magnus Haugaard Olsen, et al.Physical Review Letters|November 5, 2004
Optimization of effective atom centered potentials for london dispersion forces in density functional theoryO Anatole von Lilienfeld, Ivano Tavernelli, Ursula Rothlisberger, et al.Pageof 20