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The Journal of Physical Chemistry. B
|
January 8, 2008
NMR chemical shifts of the rhodopsin chromophore in the dark state and in bathorhodopsin: a hybrid QM/MM molecular dynamics study
Ute F Röhrig, Daniel Sebastiani
Biochemistry
|
August 28, 2002
Early steps of the intramolecular signal transduction in rhodopsin explored by molecular dynamics simulations
Ute F Röhrig, Leonardo Guidoni, Ursula Rothlisberger
Journal of Medicinal Chemistry
|
December 15, 2021
Structure and Plasticity of Indoleamine 2,3-Dioxygenase 1 (IDO1)
Ute F Röhrig, Olivier Michielin, Vincent Zoete
Journal of Chemical Information and Modeling
|
October 10, 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
Journal of Chemical Information and Modeling
|
December 17, 2016
On-the-Fly QM/MM Docking with Attracting Cavities
Prasad Chaskar, Vincent Zoete, Ute F Röhrig
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 20, 2005
Solvent and protein effects on the structure and dynamics of the rhodopsin chromophore
Ute F Röhrig, Leonardo Guidoni, Ursula Rothlisberger
Journal of Chemical Information and Modeling
|
December 4, 2023
Two-Step Covalent Docking with Attracting Cavities
Mathilde Goullieux, Vincent Zoete, Ute F Röhrig
Biochemistry
|
July 22, 2017
The Binding Mode of N-Hydroxyamidines to Indoleamine 2,3-Dioxygenase 1 (IDO1)
Ute F Röhrig, Vincent Zoete, Olivier Michielin
Scientific Reports
|
November 26, 2025
Hybrid quantum/classical docking of covalent and non-covalent ligands with Attracting Cavities
Mathilde Goullieux, Vincent Zoete, Ute F Röhrig
Journal of Chemical Information and Modeling
|
June 7, 2023
Attracting Cavities 2.0: Improving the Flexibility and Robustness for Small-Molecule Docking
Ute F Röhrig, Mathilde Goullieux, Marine Bugnon, et al.
Page
of 4
Search research articles
Search
Showing results (1-10 of 36) with videos related to
Sort By:
Page
of 4
The Journal of Physical Chemistry. B
|
January 8, 2008
NMR chemical shifts of the rhodopsin chromophore in the dark state and in bathorhodopsin: a hybrid QM/MM molecular dynamics study
Ute F Röhrig, Daniel Sebastiani
Biochemistry
|
August 28, 2002
Early steps of the intramolecular signal transduction in rhodopsin explored by molecular dynamics simulations
Ute F Röhrig, Leonardo Guidoni, Ursula Rothlisberger
Journal of Medicinal Chemistry
|
December 15, 2021
Structure and Plasticity of Indoleamine 2,3-Dioxygenase 1 (IDO1)
Ute F Röhrig, Olivier Michielin, Vincent Zoete
Journal of Chemical Information and Modeling
|
October 10, 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
Journal of Chemical Information and Modeling
|
December 17, 2016
On-the-Fly QM/MM Docking with Attracting Cavities
Prasad Chaskar, Vincent Zoete, Ute F Röhrig
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 20, 2005
Solvent and protein effects on the structure and dynamics of the rhodopsin chromophore
Ute F Röhrig, Leonardo Guidoni, Ursula Rothlisberger
Journal of Chemical Information and Modeling
|
December 4, 2023
Two-Step Covalent Docking with Attracting Cavities
Mathilde Goullieux, Vincent Zoete, Ute F Röhrig
Biochemistry
|
July 22, 2017
The Binding Mode of N-Hydroxyamidines to Indoleamine 2,3-Dioxygenase 1 (IDO1)
Ute F Röhrig, Vincent Zoete, Olivier Michielin
Scientific Reports
|
November 26, 2025
Hybrid quantum/classical docking of covalent and non-covalent ligands with Attracting Cavities
Mathilde Goullieux, Vincent Zoete, Ute F Röhrig
Journal of Chemical Information and Modeling
|
June 7, 2023
Attracting Cavities 2.0: Improving the Flexibility and Robustness for Small-Molecule Docking
Ute F Röhrig, Mathilde Goullieux, Marine Bugnon, et al.
Page
of 4