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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|April 30, 2013
Trajectory-based nonadiabatic dynamics with time-dependent density functional theoryBasile F E Curchod, Ursula Rothlisberger, Ivano TavernelliBiochemistry|April 22, 2009
Observation of "ionic lock" formation in molecular dynamics simulations of wild-type beta 1 and beta 2 adrenergic receptorsStefano Vanni, Marilisa Neri, Ivano Tavernelli, et al.Journal of the American Chemical Society|June 17, 2016
Who Activates the Nucleophile in Ribozyme Catalysis? An Answer from the Splicing Mechanism of Group II IntronsLorenzo Casalino, Giulia Palermo, Ursula Rothlisberger, et al.Plos Computational Biology|January 22, 2011
Predicting novel binding modes of agonists to β adrenergic receptors using all-atom molecular dynamics simulationsStefano Vanni, Marilisa Neri, Ivano Tavernelli, et al.Journal of the American Chemical Society|December 28, 2011
Insights into intrastrand cross-link lesions of DNA from QM/MM molecular dynamics simulationsJulian Garrec, Chandan Patel, Ursula Rothlisberger, et al.Journal of Chemical Theory and Computation|July 22, 2017
How Rhodopsin Tunes the Equilibrium between Protonated and Deprotonated Forms of the Retinal ChromophoreSiri C van Keulen, Alicia Solano, Ursula RothlisbergerBiochemistry|October 23, 2013
Prion versus doppel protein misfolding: new insights from replica-exchange molecular dynamics simulationsPascal Baillod, Julian Garrec, Ivano Tavernelli, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|December 19, 2008
A QM/MM investigation of thymine dimer radical anion splitting catalyzed by DNA photolyaseFanny Masson, Teodoro Laino, Ursula Rothlisberger, et al.The Journal of Physical Chemistry. B|August 7, 2007
Optical spectra of Cu(II)-azurin by hybrid TDDFT-molecular dynamics simulationsMichele Cascella, Michel A Cuendet, Ivano Tavernelli, et al.Physical Review Letters|October 26, 2005
Variational particle number approach for rational compound designO Anatole von Lilienfeld, Roberto D Lins, Ursula RothlisbergerPageof 20