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ORCIDUte F. Röhrig
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Journal Articles
- 2023
[j7]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): 3925-3940 (2023)- [j6]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): 6469-6475 (2023) - [j5]Mathilde Goullieux, Vincent Zoete, Ute F. Röhrig:
Two-Step Covalent Docking with Attracting Cavities. J. Chem. Inf. Model. 63(24): 7847-7859 (2023) - 2017
- [j4]Prasad Chaskar, Vincent Zoete, Ute F. Röhrig:
On-the-Fly QM/MM Docking with Attracting Cavities. J. Chem. Inf. Model. 57(1): 73-84 (2017) - 2016
- [j3]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): 437-447 (2016) - 2014
- [j2]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): 3137-3152 (2014) - 2009
- [j1]Ute F. Röhrig, Aurélien Grosdidier, Vincent Zoete, Olivier Michielin:
Docking to heme proteins. J. Comput. Chem. 30(14): 2305-2315 (2009)
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