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Röhrig, Ute F
125  Ergebnisse:
Personensuche X
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1

SwissDock 2024: major enhancements for small-molecule docki..:

Bugnon, Marine ; Röhrig, Ute F ; Goullieux, Mathilde...
Nucleic Acids Research.  52 (2024)  W1 - p. W324-W332 , 2024
Link: https://doi.org/10.1093/..
 
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2

Attracting Cavities 2.0: Improving the Flexibility and Robu..:

Röhrig, Ute F. ; Goullieux, Mathilde ; Bugnon, Marine.
Journal of Chemical Information and Modeling.  63 (2023)  12 - p. 3925-3940 , 2023
Link: https://doi.org/10.1021/..
 
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3

Two-Step Covalent Docking with Attracting Cavities:

Goullieux, Mathilde ; Zoete, Vincent ; Röhrig, Ute F.
Journal of Chemical Information and Modeling.  63 (2023)  24 - p. 7847-7859 , 2023
Link: https://doi.org/10.1021/..
 
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4

SwissParam 2023: A Modern Web-Based Tool for Efficient Smal..:

Bugnon, Marine ; Goullieux, Mathilde ; Röhrig, Ute F....
Journal of Chemical Information and Modeling.  63 (2023)  21 - p. 6469-6475 , 2023
Link: https://doi.org/10.1021/..
 
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5

Structure-based optimization of type III indoleamine 2,3-di..:

Röhrig, Ute F. ; Majjigapu, Somi Reddy ; Vogel, Pierre...
Journal of Enzyme Inhibition and Medicinal Chemistry.  37 (2022)  1 - p. 1773-1811 , 2022
Link: https://doi.org/10.1080/..
 
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6

Structure and Plasticity of Indoleamine 2,3-Dioxygenase 1 (..:

Röhrig, Ute F. ; Michielin, Olivier ; Zoete, Vincent
Journal of Medicinal Chemistry.  64 (2021)  24 - p. 17690-17705 , 2021
Link: https://doi.org/10.1021/..
 
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7

Azole-Based Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors:

Röhrig, Ute F. ; Majjigapu, Somi Reddy ; Reynaud, Aline...
Journal of Medicinal Chemistry.  64 (2021)  4 - p. 2205-2227 , 2021
Link: https://doi.org/10.1021/..
 
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8

Inhibition Mechanisms of Indoleamine 2,3-Dioxygenase 1 (IDO..:

Röhrig, Ute F. ; Reynaud, Aline ; Majjigapu, Somi Reddy...
Journal of Medicinal Chemistry.  62 (2019)  19 - p. 8784-8795 , 2019
Link: https://doi.org/10.1021/..
 
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9

The conserved threonine-rich region of the HCF-1PRO repeat ..:

Kapuria, Vaibhav ; Röhrig, Ute F. ; Waridel, Patrice...
Journal of Biological Chemistry.  293 (2018)  46 - p. 17754-17768 , 2018
Link: https://doi.org/10.1074/..
 
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10

The Binding Mode of N-Hydroxyamidines to Indoleamine 2,3-Di..:

Röhrig, Ute F. ; Zoete, Vincent ; Michielin, Olivier
Biochemistry.  56 (2017)  33 - p. 4323-4325 , 2017
Link: https://doi.org/10.1021/..
 
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11

On-the-Fly QM/MM Docking with Attracting Cavities:

Chaskar, Prasad ; Zoete, Vincent ; Röhrig, Ute F.
Journal of Chemical Information and Modeling.  57 (2016)  1 - p. 73-84 , 2016
Link: https://doi.org/10.1021/..
 
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12

Proteolysis of HCF-1 by Ser/Thr glycosylation-incompetent O..:

Kapuria, Vaibhav ; Röhrig, Ute F. ; Bhuiyan, Tanja...
Genes & Development.  30 (2016)  8 - p. 960-972 , 2016
Link: https://doi.org/10.1101/..
 
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13

1,2,3-Triazoles as inhibitors of indoleamine 2,3-dioxygenas..:

Röhrig, Ute F. ; Majjigapu, Somi Reddy ; Caldelari, Daniela...
Bioorganic & Medicinal Chemistry Letters.  26 (2016)  17 - p. 4330-4333 , 2016
Link: https://doi.org/10.1016/..
 
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14

Single amino acid charge switch defines clinically distinct..:

Holzinger, Dirk ; Fassl, Selina Kathleen ; de Jager, Wilco...
Journal of Allergy and Clinical Immunology.  136 (2015)  5 - p. 1337-1345 , 2015
Link: https://doi.org/10.1016/..
 
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15

Attracting cavities for docking. Replacing the rough energy..:

Zoete, Vincent ; Schuepbach, Thierry ; Bovigny, Christophe...
Journal of Computational Chemistry.  37 (2015)  4 - p. 437-447 , 2015
Link: https://doi.org/10.1002/..
 
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