Author: Grabowsky, Simon and Schirmeister, Tanja / Organizational unit: FB 09 Chemie, Pharmazie, Geographie und Geowissenschaften / Data source: Web of Science (Lite) - Universitätsbibliographie Search Results

Start Over Author Grabowsky, Simon Author Schirmeister, Tanja Organizational unit FB 09 Chemie, Pharmazie, Geographie und Geowissenschaften Data source Web of Science (Lite)

1. Electronic situation in the oxirane ring - charge density and ELF study on several oxirane derivatives

Autoren:: Grabowsky, Simon; Pfeuffer, Thomas; Weber, Manuela; Mebs, Stefan; Buschmann, Juergen; Paulmann, Carsten; Schirmeister, Tanja; Luger, Peter
Veröffentlichungsdatum:: 2008
Type:: Journal article

2. Electron-density determination of electrophilic building blocks as model compounds for protease inhibitors

Autoren:: Grabowsky, Simon; Pfeuffer, Thomas; Checinska, Lilianna; Weber, Manuela; Morgenroth, Wolfgang; Luger, Peter; Schirmeister, Tanja
Veröffentlichungsdatum:: 2007
Type:: Journal article

3. Effect of Electron-Withdrawing Substituents on the Epoxide Ring: An Experimental and Theoretical Electron Density Analysis of a Series of Epoxide Derivatives

Autoren:: Grabowsky, Simon; Schirmeister, Tanja; Paulmann, Carsten; Pfeuffer, Thomas; Luger, Peter
Veröffentlichungsdatum:: 2011
Type:: Journal article

4. Similarities and Differences between Crystal and Enzyme Environmental Effects on the Electron Density of Drug Molecules

Autoren:: Kleemiss, Florian; Wieduwilt, Erna K; Hupf, Emanuel; Shi, Ming W; Stewart, Scott G; Jayatilaka, Dylan; Turner, Michael J; Sugimoto, Kunihisa; Nishibori, Eiji; Schirmeister, Tanja; Schmidt, Thomas C; Engels, Bernd; Grabowsky, Simon
Veröffentlichungsdatum:: 2021
Type:: Journal article

5. Reactivity Differences between α,β-Unsaturated Carbonyls and Hydrazones Investigated by Experimental and Theoretical Electron Density and Electron Localizability Analyses

Autoren:: Grabowsky, Simon; Weber, Manuela; Jayatilaka, Dylan; Chen, Yu-Sheng; Grabowski, Matthias T; Brehme, Rainer; Hesse, Malte; Schirmeister, Tanja; Luger, Peter
Veröffentlichungsdatum:: 2011
Type:: Journal article

6. Electrostatic complementarity in pseudoreceptor modeling based on drug molecule crystal structures: the case of loxistatin acid (E64c)

Autoren:: Shi, Ming W; Sobolev, Alexandre N; Schirmeister, Tanja; Engels, Bernd; Schmidt, Thomas C; Luger, Peter; Mebs, Stefan; Dittrich, Birger; Chen, Yu-Sheng; Bak, Joanna M; Jayatilaka, Dylan; Bond, Charles S; Turner, Michael J; Stewart, Scott G; Spackman, Mark A; Grabowsky, Simon
Veröffentlichungsdatum:: 2015
Type:: Journal article

7. Vinyl sulfone building blocks in covalently reversible reactions with thiols

Autoren:: Schneider, Thomas H; Rieger, Max; Ansorg, Kay; Sobolev, Alexandre N; Schirmeister, Tanja; Engels, Bernd; Grabowsky, Simon
Veröffentlichungsdatum:: 2015
Type:: Journal article

8. A comparative study on the experimentally derived electron densities of three protease inhibitor model compounds

Autoren:: Grabowsky, Simon; Pfeuffer, Thomas; Morgenroth, Wolfgang; Paulmann, Carsten; Schirmeister, Tanja; Luger, Peter
Veröffentlichungsdatum:: 2008
Type:: Journal article

9. Synthesis, X-ray Structure Determination, and Comprehensive Photochemical Characterization of (Trifluoromethyl) diazirine-Containing TRPML1 Ligands

Autoren:: Schwickert, Kevin; Andrzejewski, Michal; Grabowsky, Simon; Schirmeister, Tanja
Veröffentlichungsdatum:: 2021
Type:: Journal article

10. The Significance of Ionic Bonding in Sulfur Dioxide: Bond Orders from X-ray Diffraction Data

Autoren:: Grabowsky, Simon; Luger, Peter; Buschmann, Juergen; Schneider, Thomas; Schirmeister, Tanja; Sobolev, Alexandre N; Jayatilaka, Dylan
Veröffentlichungsdatum:: 2012
Type:: Journal article