Ursula Rothlisberger

Orcid: 0000-0002-1704-8591

According to our database1, Ursula Rothlisberger authored at least 10 papers between 2006 and 2023.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of five.

Timeline

Legend:

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PhD thesis 
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Links

On csauthors.net:

Bibliography

2023
MiMiCPy: An Efficient Toolkit for MiMiC-Based QM/MM Simulations.
J. Chem. Inf. Model., March, 2023

2022
A theoretical perspective of the ultrafast transient absorption dynamics of CsPbBr3.
J. Comput. Chem., 2022

2020
From a week to less than a day: Speedup and scaling of coordinate-scaled exact exchange calculations in plane waves.
Comput. Phys. Commun., 2020

2019
Regulation of adenylyl cyclase 5 in striatal neurons confers the ability to detect coincident neuromodulatory signals.
PLoS Comput. Biol., 2019

2017
Exploring the inhibition mechanism of adenylyl cyclase type 5 by n-terminal myristoylated Gαi1.
PLoS Comput. Biol., 2017

2015
Keys to Lipid Selection in Fatty Acid Amide Hydrolase Catalysis: Structural Flexibility, Gating Residues and Multiple Binding Pockets.
PLoS Comput. Biol., 2015

2013
Two Misfolding Routes for the Prion Protein around pH 4.5.
PLoS Comput. Biol., 2013

2011
Predicting Novel Binding Modes of Agonists to β Adrenergic Receptors Using All-Atom Molecular Dynamics Simulations.
PLoS Comput. Biol., 2011

2008
Parameterization of azole-bridged dinuclear platinum anticancer drugs via a QM/MM force matching procedure.
J. Comput. Chem., 2008

2006
A comparative theoretical study of dipeptide solvation in water.
J. Comput. Chem., 2006


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