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Proteins|April 14, 2005
Folding pathways for initiator and effector procaspases from computer simulationsStefano Piana, Zoe Taylor, Ursula RothlisbergerBiophysical Journal|May 29, 2007
The protonation state of the Glu-71/Asp-80 residues in the KcsA potassium channel: a first-principles QM/MM molecular dynamics studyDenis Bucher, Leonardo Guidoni, Ursula RothlisbergerThe Journal of Chemical Physics|April 2, 2009
Nonadiabatic coupling vectors within linear response time-dependent density functional theoryIvano Tavernelli, Enrico Tapavicza, Ursula RothlisbergerJournal of Chemical Theory and Computation|November 27, 2015
Secondary Structure Assignment of Amyloid-β Peptide Using Chemical ShiftsGeoffrey P F Wood, Ursula RothlisbergerThe Journal of Chemical Physics|January 23, 2022
A multiple time step algorithm for trajectory surface hopping simulationsPablo Baudin, François Mouvet, Ursula RothlisbergerProtein Science : a Publication of the Protein Society|September 19, 2002
Drug resistance in HIV-1 protease: Flexibility-assisted mechanism of compensatory mutationsStefano Piana, Paolo Carloni, Ursula RothlisbergerBiochemistry|July 23, 2003
Structure-based thermodynamic analysis of caspases reveals key residues for dimerization and activityStefano Piana, Marialore Sulpizi, Ursula RothlisbergerThe Journal of Physical Chemistry. B|February 24, 2006
Duocarmycins binding to DNA investigated by molecular simulationKatrin Spiegel, Ursula Rothlisberger, Paolo CarloniJournal of Chemical Theory and Computation|December 3, 2015
Structural and Energetic Properties of Organometallic Ruthenium(II) Diamine Anticancer Compounds and Their Interaction with NucleobasesChristian Gossens, Ivano Tavernelli, Ursula RothlisbergerThe Journal of Physical Chemistry Letters|October 28, 2017
Predictive Determination of Band Gaps of Inorganic Halide PerovskitesJulia Wiktor, Ursula Rothlisberger, Alfredo PasquarelloPageof 20