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Journal of Chemical Theory and Computation|December 8, 2015
Scanning Reactive Pathways with Orbital Biased Molecular DynamicsLeonardo Guidoni, Ursula RothlisbergerChimia|April 27, 2024
Oxidative Defect Detection Within Free and Packed DNA Systems: A Quantum Mechanical/Molecular Mechanics (QM/ MM) ApproachSophia Johnson, Ursula RothlisbergerChimia|May 9, 2026
Electronic and Optical Properties of ParacyclophanesVladislav Slama, Ursula RothlisbergerPlos One|June 9, 2026
Predicting unknown binding sites for transition-metal-based compounds in proteinsAndrea Levy, Ursula RothlisbergerProteins|May 18, 2004
Molecular dynamics simulations of structural changes during procaspase 3 activationStefano Piana, Ursula RothlisbergerPhysical Chemistry Chemical Physics : PCCP|May 10, 2008
Describing weak interactions of biomolecules with dispersion-corrected density functional theoryI-Chun Lin, Ursula RothlisbergerThe Journal of Physical Chemistry. A|August 12, 2009
Ab initio excited state properties and dynamics of a prototype sigma-bridged-donor-acceptor moleculeEnrico Tapavicza, Ivano Tavernelli, Ursula RothlisbergerThe Journal of Physical Chemistry. A|October 2, 2009
Binding of organometallic ruthenium(II) anticancer compounds to nucleobases: a computational studyChristian Gossens, Ivano Tavernelli, Ursula RothlisbergerJournal of the American Chemical Society|July 25, 2008
DNA structural distortions induced by ruthenium-arene anticancer compoundsChristian Gossens, Ivano Tavernelli, Ursula RothlisbergerChembiochem : a European Journal of Chemical Biology|March 28, 2013
Mechanism to trigger unfolding in O(6) -alkylguanine-DNA alkyltransferaseElizabeth Brunk, Birgit Mollwitz, Ursula RothlisbergerPageof 20