Double Duty for a Conserved Glutamate in Pyruvate Decarboxylase: Evidence of the Participation in Stereoelectronically Controlled Decarboxylation and in Protonation of the Nascent Carbanion/Enamine Intermediate
Meyer, Danilo, Neumann, Piotr, Parthier, Christoph, Friedemann, Rudolf, Nemeria, Natalia, Jordan, Frank, Tittmann, Kai
Published in Biochemistry (Easton) (21.09.2010)
Published in Biochemistry (Easton) (21.09.2010)
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Journal Article
DFT and MD studies on the influence of the orientation of ester linkage groups in banana-shaped mesogens
Ananda Rama Krishnan, S, Weissflog, Wolfgang, Pelzl, Gerhard, Diele, Siegmar, Kresse, Horst, Vakhovskaya, Zinaida, Friedemann, Rudolf
Published in Physical chemistry chemical physics : PCCP (14.03.2006)
Published in Physical chemistry chemical physics : PCCP (14.03.2006)
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Journal Article
Unexpected liquid crystalline behaviour of three-ring bent-core mesogens: bis(4-subst.-phenyl) 2-methyl-iso-phthalates
Weissflog, Wolfgang, Baumeister, Ute, Tamba, Maria-Gabriela, Pelzl, Gerhard, Kresse, Horst, Friedemann, Rudolf, Hempel, Günther, Kurz, Ricardo, Roos, Matthias, Merzweiler, Kurt, Jákli, Antal, Zhang, Cuiyu, Diorio, Nicholas, Stannarius, Ralf, Eremin, Alexey, Kornek, Ulrike
Published in Soft matter (01.01.2012)
Published in Soft matter (01.01.2012)
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Journal Article
Strain and Near Attack Conformers in Enzymic Thiamin Catalysis: X-ray Crystallographic Snapshots of Bacterial Transketolase in Covalent Complex with Donor Ketoses Xylulose 5-phosphate and Fructose 6-phosphate, and in Noncovalent Complex with Acceptor Aldose Ribose 5-phosphate
Asztalos, Peter, Parthier, Christoph, Golbik, Ralph, Kleinschmidt, Martin, Hübner, Gerhard, Weiss, Manfred S., Friedemann, Rudolf, Wille, Georg, Tittmann, Kai
Published in Biochemistry (Easton) (30.10.2007)
Published in Biochemistry (Easton) (30.10.2007)
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Journal Article
DFT and MP2 studies on the C2 C2α bond cleavage in thiamin catalysis
Friedemann, Rudolf, Tittmann, Kai, Golbik, Ralph, Hübner, Gerhard
Published in Journal of molecular catalysis. B, Enzymatic (01.11.2009)
Published in Journal of molecular catalysis. B, Enzymatic (01.11.2009)
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Journal Article
Conference Proceeding
Redox-Triggered FTIR Difference Spectra of FAD in Aqueous Solution and Bound to Flavoproteins
Wille, Georg, Ritter, Michaela, Friedemann, Rudolf, Mäntele, Werner, Hübner, Gerhard
Published in Biochemistry (Easton) (23.12.2003)
Published in Biochemistry (Easton) (23.12.2003)
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Journal Article
DFT and MP2 studies on the C2C2α bond cleavage in thiamin catalysis
Friedemann, Rudolf, Tittmann, Kai, Golbik, Ralph, Hübner, Gerhard
Published in Journal of molecular catalysis. B, Enzymatic (01.11.2009)
Published in Journal of molecular catalysis. B, Enzymatic (01.11.2009)
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Journal Article
Unexpected liquid crystalline behaviour of three-ring bent-core mesogens: bis(4-subst.-phenyl) 2-methyl-iso-phthalatesElectronic supplementary information (ESI) available. CCDC reference number 845881. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c2sm07064bPresent address: University of Hull, Department of Chemistry, Hull, HU6 7RX, UK
Weissflog, Wolfgang, Baumeister, Ute, Tamba, Maria-Gabriela, Pelzl, Gerhard, Kresse, Horst, Friedemann, Rudolf, Hempel, Gnther, Kurz, Ricardo, Roos, Matthias, Merzweiler, Kurt, Jkli, Antal, Zhang, Cuiyu, Diorio, Nicholas, Stannarius, Ralf, Eremin, Alexey, Kornek, Ulrike
Year of Publication 08.02.2012
Year of Publication 08.02.2012
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Journal Article
DFT studies on key intermediates in thiamin catalysis
Friedemann, Rudolf, Tittmann, Kai, Golbik, Ralph, Hübner, Gerhard
Published in International journal of quantum chemistry (2004)
Published in International journal of quantum chemistry (2004)
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Journal Article
Molecular dynamics studies on the aggregation of Y-shaped fluoroalkanes
Friedemann, Rudolf, Naumann, Stefan, Brickmann, Jürgen
Published in Journal of molecular modeling (01.09.2002)
Published in Journal of molecular modeling (01.09.2002)
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Journal Article
Molecular Modelling Studies on the Catalytic Mechanism of Candida Rugosa Lipase
Monecke, Peter, Friedemann, Rudolf, Naumann, Stefan, Csuk, Ren
Published in Journal of molecular modeling (01.12.1998)
Published in Journal of molecular modeling (01.12.1998)
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Journal Article
Theoretical studies on the electronic and energetic properties of the aminopyrimidine part of thiamin diphosphate
Friedemann, Rudolf, Neef, Holger
Published in Biochimica et Biophysica Acta (BBA)/Protein Structure and Molecular Enzymology (29.06.1998)
Published in Biochimica et Biophysica Acta (BBA)/Protein Structure and Molecular Enzymology (29.06.1998)
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Book Review
Journal Article
Specific fragmentation of thioxo peptides facilitates the assignment of the thioxylated amino acid
Pfeifer, Thomas, Schierhorn, Angelika, Friedemann, Rudolf, Jakob, Mario, Frank, Robert, Schutkowski, Mike, Fischer, Gunter
Published in Journal of mass spectrometry. (01.11.1997)
Published in Journal of mass spectrometry. (01.11.1997)
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Journal Article
Molecular Dynamics Simulations on the Coenzyme Thiamin Diphosphate in Apoenzyme Environment
von Fircks, Anne, Naumann, Stefan, Friedemann, Rudolf, K nig, Stephan
Published in Journal of molecular modeling (01.09.1996)
Published in Journal of molecular modeling (01.09.1996)
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Journal Article
Ab initio and DFT calculations on the initial step in thiamin catalysis
Friedemann, Rudolf, Naumann, Stefan
Published in Journal of molecular structure. Theochem (25.07.2003)
Published in Journal of molecular structure. Theochem (25.07.2003)
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Journal Article