Ursula Rothlisberger

Publication Activity (10 Years)

Years Active: 2006-2023
Publications (10 Years): 6

Top Topics

Mass Spectrometry

Predicting Protein

Top Venues

PLoS Comput. Biol.

J. Comput. Chem.

Comput. Phys. Commun.

J. Chem. Inf. Model.

Publications

Bharath Raghavan, Florian K. Schackert, Andrea Levy, Sophia K. Johnson, Emiliano Ippoliti, Davide Mandelli, Jógvan Magnus Haugaard Olsen, Ursula Rothlisberger, Paolo Carloni
MiMiCPy: An Efficient Toolkit for MiMiC-Based QM/MM Simulations. J. Chem. Inf. Model. 63 (5) (2023)
Ariadni Boziki, Pablo Baudin, Elisa Liberatore, Negar Ashari Astani, Ursula Rothlisberger
A theoretical perspective of the ultrafast transient absorption dynamics of CsPbBr3. J. Comput. Chem. 43 (8) (2022)
Martin P. Bircher, Ursula Rothlisberger
From a week to less than a day: Speedup and scaling of coordinate-scaled exact exchange calculations in plane waves. Comput. Phys. Commun. 247 (2020)
Neil J. Bruce, Daniele Narzi, Daniel Trpevski, Siri Camee van Keulen, Anu G. Nair, Ursula Rothlisberger, Rebecca C. Wade, Paolo Carloni, Jeanette Hellgren Kotaleski
Regulation of adenylyl cyclase 5 in striatal neurons confers the ability to detect coincident neuromodulatory signals. PLoS Comput. Biol. 15 (10) (2019)
Siri Camee van Keulen, Ursula Rothlisberger
Exploring the inhibition mechanism of adenylyl cyclase type 5 by n-terminal myristoylated Gαi1. PLoS Comput. Biol. 13 (9) (2017)
Giulia Palermo, Inga Bauer, Pablo Campomanes, Andrea Cavalli, Andrea Armirotti, Stefania Girotto, Ursula Rothlisberger, Marco de Vivo
Keys to Lipid Selection in Fatty Acid Amide Hydrolase Catalysis: Structural Flexibility, Gating Residues and Multiple Binding Pockets. PLoS Comput. Biol. 11 (6) (2015)
Julian Garrec, Ivano Tavernelli, Ursula Rothlisberger
Two Misfolding Routes for the Prion Protein around pH 4.5. PLoS Comput. Biol. 9 (5) (2013)
Stefano Vanni, Marilisa Neri, Ivano Tavernelli, Ursula Rothlisberger
Predicting Novel Binding Modes of Agonists to β Adrenergic Receptors Using All-Atom Molecular Dynamics Simulations. PLoS Comput. Biol. 7 (1) (2011)
Katrin Spiegel, Alessandra Magistrato, Patrick Maurer, Paolo Ruggerone, Ursula Rothlisberger, Paolo Carloni, Jan Reedijk, Michael L. Klein
Parameterization of azole-bridged dinuclear platinum anticancer drugs via a QM/MM force matching procedure. J. Comput. Chem. 29 (1) (2008)
Håkan W. Hugosson, Alessandro Laio, Patrick Maurer, Ursula Rothlisberger
A comparative theoretical study of dipeptide solvation in water. J. Comput. Chem. 27 (5) (2006)