| 1 |
Quantum Chemical-Based Protocol for the Rational Design of Covalent Inhibitors
Schirmeister T, Kesselring J, Jung S, Schneider TH, Weickert A, Becker J, Lee W, Bamberger D, Wich PR, Distler U, Tenzer S, Johe P, Hellmich UA, Engels B
Journal of the American Chemical Society, 138(27), 8332, 2016 |
| 2 |
Biochemistry and Medicinal Chemistry of the Dengue Virus Protease
Nitsche C, Holloway S, Schirmeister T, Klein CD
Chemical Reviews, 114(22), 11348, 2014 |
| 3 |
Reactivity Differences between alpha,beta-Unsaturated Carbonyls and Hydrazones Investigated by Experimental and Theoretical Electron Density and Electron Localizability Analyses
Grabowsky S, Weber M, Jayatilaka D, Chen YS, Grabowski MT, Brehme R, Hesse M, Schirmeister T, Luger P
Journal of Physical Chemistry A, 115(45), 12715, 2011 |
| 4 |
Rational Design of Improved Aziridine-Based Inhibitors of Cysteine Proteases
Buback V, Mladenovic M, Engels B, Schirmeister T
Journal of Physical Chemistry B, 113(15), 5282, 2009 |
| 5 |
Atomistic insights into the inhibition of cysteine proteases: First QM/MM calculations clarifying the regiospecificity and the inhibition potency of epoxide- and aziridine-based inhibitors
Mladenovic M, Junold K, Fink RF, Thiel W, Schirmeister T, Engels B
Journal of Physical Chemistry B, 112(17), 5458, 2008 |
| 6 |
Atomistic insights into the inhibition of cysteine proteases: First QM/MM calculations clarifying the stereoselectivity of epoxide-based inhibitors
Mladenovic M, Ansorg K, Fink RF, Thiel W, Schirmeister T, Engels B
Journal of Physical Chemistry B, 112(37), 11798, 2008 |
| 7 |
On the origin of the stabilization of the zwitterionic resting state of cysteine proteases: A theoretical study
Mladenovic M, Fink RF, Thiel W, Schirmeister T, Engels B
Journal of the American Chemical Society, 130(27), 8696, 2008 |
| 8 |
Development and validation of a separation method for the diastereomers and enantiomers of aziridine-type protease inhibitors
Bitar Y, Degel B, Schirmeister T, Holzgrabe U
Electrophoresis, 26(12), 2313, 2005 |
| 9 |
Comparison of the separation of aziridine isomers applying heptakis(2,3-di-O-methyl-6-sulfato)beta-CD and heptakis(2,3-di-O-acetyl-6-sulfato)beta-CD in aqueous and nonaqueous systems
Bitar Y, Degel B, Schirmeister T, Holzgrabe U
Electrophoresis, 26(20), 3897, 2005 |
| 10 |
Model calculations about the influence of protic environments on the alkylation step of epoxide, aziridine, and thiirane based cysteine protease inhibitors
Helten H, Schirmeister T, Engels B
Journal of Physical Chemistry A, 108(38), 7691, 2004 |
