Ute F Röhrig

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 13

Top Topics

Molecular Dynamics Simulations

Top Venues

Journal of chemical information and modeling

Journal of medicinal chemistry

Nucleic acids research

This page only lists publications with an associated author ORCID identifier.

Publications

Marine Bugnon, Ute F Röhrig, Mathilde Goullieux, Marta A S Perez, Antoine Daina, Olivier Michielin, Vincent Zoete
SwissDock 2024: major enhancements for small-molecule docking with Attracting Cavities and AutoDock Vina. Nucleic acids research (2024)
Marine Bugnon, Ute F Röhrig, Mathilde Goullieux, Marta A S Perez, Antoine Daina, Olivier Michielin, Vincent Zoete
SwissDock 2024: major enhancements for small-molecule docking with Attracting Cavities and AutoDock Vina. Nucleic acids research 52 (W1) (2024)
Marine Bugnon, Ute F Röhrig, Mathilde Goullieux, Marta A S Perez, Antoine Daina, Olivier Michielin, Vincent Zoete
SwissDock 2024: major enhancements for small-molecule docking with Attracting Cavities and AutoDock Vina. Nucleic acids research 52 (W1) (2024)
Mathilde Goullieux, Vincent Zoete, Ute F Röhrig
Two-Step Covalent Docking with Attracting Cavities. Journal of chemical information and modeling (2023)
Ute F Röhrig, Mathilde Goullieux, Marine Bugnon, Vincent Zoete
Attracting Cavities 2.0: Improving the Flexibility and Robustness for Small-Molecule Docking. Journal of chemical information and modeling (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. Journal of chemical information and modeling (2023)
Ute F Röhrig, Somi Reddy Majjigapu, Pierre Vogel, Aline Reynaud, Florence Pojer, Nahzli Dilek, Patrick Reichenbach, Kelly Ascenção, Melita Irving, Sergio A Quezada, Olivier Michielin, Vincent Zoete
Structure-based optimization of type III indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors. Journal of enzyme inhibition and medicinal chemistry 37 (1) (2022)
Ute F Röhrig, Somi Reddy Majjigapu, Aline Reynaud, Florence Pojer, Nahzli Dilek, Patrick Reichenbach, Kelly Ascencao, Melita Irving, George Coukos, Pierre Vogel, Olivier Michielin, Vincent Zoete
Azole-Based Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors. Journal of medicinal chemistry 64 (4) (2021)
Ute F Röhrig, Olivier Michielin, Vincent Zoete
Structure and Plasticity of Indoleamine 2,3-Dioxygenase 1 (IDO1). Journal of medicinal chemistry 64 (24) (2021)
Ute F Röhrig, Aline Reynaud, Somi Reddy Majjigapu, Pierre Vogel, Florence Pojer, Vincent Zoete
Inhibition Mechanisms of Indoleamine 2,3-Dioxygenase 1 (IDO1). Journal of medicinal chemistry 62 (19) (2019)
Michael Platten, Ellen A A Nollen, Ute F Röhrig, Francesca Fallarino, Christiane A Opitz
Tryptophan metabolism as a common therapeutic target in cancer, neurodegeneration and beyond. Nature reviews. Drug discovery 18 (5) (2019)
Ute F Röhrig, Vincent Zoete, Olivier Michielin
The Binding Mode of N-Hydroxyamidines to Indoleamine 2,3-Dioxygenase 1 (IDO1). Biochemistry 56 (33) (2017)
Prasad Chaskar, Vincent Zoete, Ute F Röhrig
On-the-Fly QM/MM Docking with Attracting Cavities. Journal of chemical information and modeling 57 (1) (2016)