Röhrig Ute Friederike
Privat-docente, Head of Research
Faculty of Biology and Medicine
Universite de Lausanne
Switzerland
Biography
Ute Röhrig graduated in chemistry from the Ludwig-Maximilians-University in Munich in 2000. She obtained a PhD in 2004 from the Swiss Federal Institute of Technology in Zurich in computational chemistry for her work on hybrid quantum/classical simulations of the photoreceptor rhodopsin. She then moved to the Enrico Fermi Research Centre in Rome, working on simulations of amyloid fibril formation. In 2006 she joined the molecular modelling group at the SIB, where she is involved in drug design projects and in integrating QM/MM techniques in EADock.
Research Interest
Origin of the spectral shifts among the early intermediates of the rhodopsin photocycle. Indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors.
Publications
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Attracting cavities for docking. Replacing the rough energy by a smooth attracting landscape. Zoete V. , Schoepbach T. , Bovigny C. , Chaskar P. , Daina A. , et al., (2016). 437-447.
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1,2,3-Triazoles as inhibitors of indoleamine 2,3-dioxygenase 2 (IDO2). Röhrig UF , Majjigapu SR , Caldelari D. , Dilek N. , Reichenbach P. , et al., (2016). 4330-4333 .
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The Binding Mode of N-Hydroxyamidines to Indoleamine 2,3-Dioxygenase 1 (IDO1). Röhrig UF , Zoete V. , Michielin O. , (2017). 4323-4325 .
