U
Ursula Rothlisberger
Researcher at École Polytechnique Fédérale de Lausanne
Publications - 338
Citations - 24706
Ursula Rothlisberger is an academic researcher from École Polytechnique Fédérale de Lausanne. The author has contributed to research in topics: Density functional theory & Excited state. The author has an hindex of 68, co-authored 322 publications receiving 20418 citations. Previous affiliations of Ursula Rothlisberger include Curtin University & University of Milan.
Papers
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Journal ArticleDOI
MiMiCPy: An Efficient Toolkit for MiMiC-Based QM/MM Simulations
Bharath Raghavan,Florian Karl Schackert,Andrea Levy,Sophia K Johnson,Emiliano Ippoliti,Davide Mandelli,Jógvan Magnus Haugaard Olsen,Ursula Rothlisberger,Paolo Carloni +8 more
TL;DR: In this paper , the authors present a tool called MiMiCPy, a user-friendly tool that automatizes the preparation of MiMiC input files using Python 3 with an object-oriented approach.
Book ChapterDOI
Magic and Mysteries of Modern Molecular Dynamics Simulations
TL;DR: Since the first molecular dynamics simulations of hard spheres by Alder and Wainwright in the fifties of the last century, this method has evolved to a powerful and intensively used technique in the computer simulations of physical, chemical and biological systems.
Journal ArticleDOI
Cover Picture: Studies of Glutathione Transferase P1‐1 Bound to a Platinum(IV)‐Based Anticancer Compound Reveal the Molecular Basis of Its Activation (Chem. Eur. J. 28/2011)
Lorien J. Parker,Lorien J. Parker,Louis C. Italiano,Louis C. Italiano,Craig J. Morton,Nancy C. Hancock,David B. Ascher,Jade B. Aitken,Hugh H. Harris,Pablo Campomanes,Ursula Rothlisberger,Anastasia De Luca,Mario Lo Bello,Wee Han Ang,Paul J. Dyson,Michael W. Parker,Michael W. Parker +16 more
Journal ArticleDOI
Molecular Mechanism of Ruthenium and Gold Anticancer Agents in the Allosteric Regulation of the Histone Proteins of Chromatin
TL;DR: This poster presents a probabilistic reconstruction of the response of the immune system to repeated exposure to EPFL’s high-energy X-ray diffraction-gauge radiolysis–corresponding to the presence of EMTs.
Journal ArticleDOI
Investigating the Impact of Photo-Blinking on Photo Activated Localization Microscopy: From Single Molecules to Cell Membrane Receptors
TL;DR: This work systematically investigated the effect of molecular photo-blinking and fluorescence dark times on a typical PALM experiment, and outlined different regimes to conduct a PALM measurement and proposed an approach to more accurately quantify the number of fluorophores activated in the sample.