Ute F. Röhrig

According to our database, Ute F. Röhrig authored at least 7 papers between 2009 and 2023.

Collaborative distances:

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

2023

Two-Step Covalent Docking with Attracting Cavities.

Mathilde Goullieux, Vincent Zoete, Ute F. Röhrig

J. Chem. Inf. Model., December, 2023

SwissParam 2023: A Modern Web-Based Tool for Efficient Small Molecule Parametrization.

Marine Bugnon, Mathilde Goullieux, Ute F. Röhrig, Marta A. S. Perez, Antoine Daina, Olivier Michielin, Vincent Zoete

J. Chem. Inf. Model., November, 2023

Attracting Cavities 2.0: Improving the Flexibility and Robustness for Small-Molecule Docking.

Ute F. Röhrig, Mathilde Goullieux, Marine Bugnon, Vincent Zoete

J. Chem. Inf. Model., June, 2023

2017

On-the-Fly QM/MM Docking with Attracting Cavities.

Prasad Chaskar, Vincent Zoete, Ute F. Röhrig

J. Chem. Inf. Model., 2017

2016

Attracting cavities for docking. Replacing the rough energy landscape of the protein by a smooth attracting landscape.

Vincent Zoete, Thierry Schüpbach, Christophe Bovigny, Prasad Chaskar, Antoine Daina, Ute F. Röhrig, Olivier Michielin

J. Comput. Chem., 2016

2014

Toward On-The-Fly Quantum Mechanical/Molecular Mechanical (QM/MM) Docking: Development and Benchmark of a Scoring Function.

Prasad Chaskar, Vincent Zoete, Ute F. Röhrig

J. Chem. Inf. Model., 2014

2009

Docking to heme proteins.

Ute F. Röhrig, Aurélien Grosdidier, Vincent Zoete, Olivier Michielin

J. Comput. Chem., 2009