Ute F. Röhrig

Publication Activity (10 Years)

Years Active: 2009-2023
Publications (10 Years): 5

Top Topics

Ultrasound Images

Scoring Functions

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

Publications

Mathilde Goullieux, Vincent Zoete, Ute F. Röhrig
Two-Step Covalent Docking with Attracting Cavities. J. Chem. Inf. Model. 63 (24) (2023)
Ute F. Röhrig, Mathilde Goullieux, Marine Bugnon, Vincent Zoete
Attracting Cavities 2.0: Improving the Flexibility and Robustness for Small-Molecule Docking. J. Chem. Inf. Model. 63 (12) (2023)
Marine Bugnon, Mathilde Goullieux, Ute F. Röhrig, Marta A. S. Perez, Antoine Daina, Olivier Michielin, Vincent Zoete
SwissParam 2023: A Modern Web-Based Tool for Efficient Small Molecule Parametrization. J. Chem. Inf. Model. 63 (21) (2023)
Prasad Chaskar, Vincent Zoete, Ute F. Röhrig
On-the-Fly QM/MM Docking with Attracting Cavities. J. Chem. Inf. Model. 57 (1) (2017)
Vincent Zoete, Thierry Schüpbach, Christophe Bovigny, Prasad Chaskar, Antoine Daina, Ute F. Röhrig, Olivier Michielin
Attracting cavities for docking. Replacing the rough energy landscape of the protein by a smooth attracting landscape. J. Comput. Chem. 37 (4) (2016)
Prasad Chaskar, Vincent Zoete, Ute F. Röhrig
Toward On-The-Fly Quantum Mechanical/Molecular Mechanical (QM/MM) Docking: Development and Benchmark of a Scoring Function. J. Chem. Inf. Model. 54 (11) (2014)
Ute F. Röhrig, Aurélien Grosdidier, Vincent Zoete, Olivier Michielin
Docking to heme proteins. J. Comput. Chem. 30 (14) (2009)