Publikationen
Recent Publications
Theoretical Studies on the Decarboxylation Reaction in Thiamin Catalysis
R. Friedemann and C. Breitkopf
Int. J. Quant. Chem. 57, 943-948(1996)
Molecular Dynamics Simulations on the Coenzyme Thiamin Diphosphate in Apoenzyme Environment
A.v. Fircks, S. Naumann, R. Friedemann, S. König
J. Mol. Model. 2, 312-318(1996)
Quantum Chemical Calculations on the Decarboxylation Reaction in Thiamin Catalysis
R. Friedemann, C. Breitkopf, A.v. Fircks
Proc. of th 4th Int. Meeting on the Function on Thiamin Diphophate Enzymes. Eds.
H. Bisswanger, A. Schellenberger, A.u.C. Intemann Wiss. Verlag, prien p. 33-38 (1996)
Optischer Vorsatz für einen Videoprojektor zur 3D-Projektion von bewegten Stereobilden.
S. Naumann, R. Friedemann
Patent-Nr. 196 08 362, 10.04.97, BR Deutschland
GROMOS-MD-Simulations on 1,2-Diol Water Clusters
R. Friedemann, S. Naumann
J.Mol.Struct.(Theochem) 398-399, 405-410(1997)
Specific Fragmentation of Thioxo Peptides Facilitates the Assignment of the Thioxylated Amino Acids Th. Pfeifer, A. Schierhorn, R. Friedemann, M. Jakob, R. Frank, M. Schutkowski and G. Fischer
J. Mass Spectrometry, 32, 1064-1071(1997)
GROMOS-MD-Simulations on the Coenzyme Thiamin Diphosphate in Apoenzyme Environment R. Friedemann, A.v. Fircks, S. Naumann
Int. J. Quant. Chem., 70, 407-413(1998)
Theoretical studies on the electronic and energetic properties of the aminopyridine part of thiamin diphosphate
R. Friedemann, H. Neef
Biochimica et Biophysica Acta, 1385, 245-250(1998)
Molecular Modelling Studies on the Catalytic Mechanism of Candida Rugosa Lipase
P. Monecke, R. Friedemann, S. Naumann and R. Csuk
J. Mol. Model. 4, 395-404(1998)
GROMOS-MD Simulations on Biamphiphilic Tetraol Clusters
R. Friedemann, A. Fengler, S. Naumann
Z. f. Physik. Chemie 209, 133-139(1999)
Vorsatz für Videoprojektoren zur 3-D-Projektion von bewegten Stereobildern.
S. Naumann, R. Friedemann
Patent-Nr. 19859855, 11.02.2000, BR Deutschland
Computerchemie - Chemie aus dem Computer?
R. Csuk und R. Friedemann
scientia halensis 4, 25-26 (2000)
Aggregation of alkane and fluoralkane clusters: molecular dynamics simulation results
R. Friedemann, S. Naumann, J. Brickmann
Phys. Chem. Chem. Phys., 3, 4195-4199(2001)
Molecular dynamics studies on the aggregation of Y-shaped fluoroalkanes
R. Friedemann, S. Naumann, J. Brickmann
J. Mol. Model. 8, 266-271(2002)
Ab initio and DFT calculations on the initial step in thiamin catalysis
R. Friedemann, S. Naumann
J. Mol. Struct. (Theochem) 630, 275-281(2003)
Redox-Triggered FTIR Difference Spectra of FAD in Aqueous Solution and Bound to Flavoproteins
G. Wille, M. Ritter, R. Friedemann, W. Mäntele, G.Hübner
Biochemistry 42, 14814-14821(2003)
DFT Studies on Key Intermediates in Thiamin Catalysis
R. Friedemann, K.Tittmann, R. Golbik, G.Hübner
Int. J. Quant. Chem. 99, 109-114(2004)