Ursula Rothlisberger

According to our database, Ursula Rothlisberger authored at least 13 papers between 2006 and 2025.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2025

OpenMM-MiMiC Interface for Efficient and Flexible Multiscale Simulations.

Andrea Levy, Andrej Antalík, Jógvan Magnus Haugaard Olsen, Ursula Rothlisberger

J. Chem. Inf. Model., 2025

Making Puzzle Pieces Fit or Reshaping MiMiC for Multiscale Simulations with CP2K and More.

Andrej Antalík, Andrea Levy, Sophia K. Johnson, Jógvan Magnus Haugaard Olsen, Ursula Rothlisberger

J. Chem. Inf. Model., 2025

2023

MiMiCPy: An Efficient Toolkit for MiMiC-Based QM/MM Simulations.

Bharath Raghavan, Florian K. Schackert, Andrea Levy, Sophia K. Johnson, Emiliano Ippoliti, Davide Mandelli, Jógvan Magnus Haugaard Olsen, Ursula Rothlisberger, Paolo Carloni

J. Chem. Inf. Model., March, 2023

2022

A theoretical perspective of the ultrafast transient absorption dynamics of CsPbBr3.

Ariadni Boziki, Pablo Baudin, Elisa Liberatore, Negar Ashari Astani, Ursula Rothlisberger

J. Comput. Chem., 2022

2020

Crown Ether Modulation Enables over 23% Efficient Formamidinium-Based Perovskite Solar Cells.

Tzu-Sen Su, Felix Thomas Eickemeyer, Michael A. Hope, Farzaneh Jahanbakhshi, Marko Mladenovic, Jun Li, Zhiwen Zhou, Aditya Mishra, Jun-Ho Yum, Dan Ren, Anurag Krishna, Olivier Ouellette, Tzu-Chien Wei, Hua Zhou, Hsin-Hsiang Huang, Mensi Mounir Driss, Kevin Sivula, Shaik M. Zakeeruddin, Jovana V. Milic, Anders Hagfeldt, Ursula Rothlisberger, Lyndon Emsley, Hong Zhang, Michael Gratzel

Dataset, November, 2020

From a week to less than a day: Speedup and scaling of coordinate-scaled exact exchange calculations in plane waves.

Martin P. Bircher, Ursula Rothlisberger

Comput. Phys. Commun., 2020

2019

Regulation of adenylyl cyclase 5 in striatal neurons confers the ability to detect coincident neuromodulatory signals.

Neil J. Bruce, Daniele Narzi, Daniel Trpevski, Siri Camee van Keulen, Anu G. Nair, Ursula Rothlisberger, Rebecca C. Wade, Paolo Carloni, Jeanette Hellgren Kotaleski

PLoS Comput. Biol., 2019

2017

Exploring the inhibition mechanism of adenylyl cyclase type 5 by n-terminal myristoylated Gαi1.

Siri Camee van Keulen, Ursula Rothlisberger

PLoS Comput. Biol., 2017

2015

Keys to Lipid Selection in Fatty Acid Amide Hydrolase Catalysis: Structural Flexibility, Gating Residues and Multiple Binding Pockets.

Giulia Palermo, Inga Bauer, Pablo Campomanes, Andrea Cavalli, Andrea Armirotti, Stefania Girotto, Ursula Rothlisberger, Marco de Vivo

PLoS Comput. Biol., 2015

2013

Two Misfolding Routes for the Prion Protein around pH 4.5.

Julian Garrec, Ivano Tavernelli, Ursula Rothlisberger

PLoS Comput. Biol., 2013

2011

Predicting Novel Binding Modes of Agonists to β Adrenergic Receptors Using All-Atom Molecular Dynamics Simulations.

Stefano Vanni, Marilisa Neri, Ivano Tavernelli, Ursula Rothlisberger

PLoS Comput. Biol., 2011

2008

Parameterization of azole-bridged dinuclear platinum anticancer drugs via a QM/MM force matching procedure.

Katrin Spiegel, Alessandra Magistrato, Patrick Maurer, Paolo Ruggerone, Ursula Rothlisberger, Paolo Carloni, Jan Reedijk, Michael L. Klein

J. Comput. Chem., 2008

2006

A comparative theoretical study of dipeptide solvation in water.

Håkan W. Hugosson, Alessandro Laio, Patrick Maurer, Ursula Rothlisberger

J. Comput. Chem., 2006