Publikationen des MPI für Kohlenforschung

Publikationen von N. Otte

Zeitschriftenartikel (7)

2009
Zeitschriftenartikel
Otte, N.; Bocola, M.; Thiel, W. Force-Field Parameters for the Simulation of Tetrahedral Intermediates of Serine Hydrolases. Journal of Computational Chemistry 2009, 30, 154–162.
2007
Zeitschriftenartikel
Otte, N.; Scholten, M.; Thiel, W. Looking at self-consistent-charge density functional tight binding from a semiempirical perspective. Journal of Physical Chemistry A 2007, 111, 5751–5755.
Zeitschriftenartikel
Reetz, M. T.; Puls, M.; Carballeira, J. D.; Vogel, A.; Jaeger, K.-E.; Eggert, T.; Thiel, W.; Bocola, M.; Otte, N. Learning from directed evolution: Further lessons from theoretical investigations into cooperative mutations in lipase enantioselectivity. ChemBioChem 2007, 8, 106–112.
2006
Zeitschriftenartikel
Kästner, J.; Senn, H. M.; Thiel, S.; Otte, N.; Thiel, W. QM/MM free-energy perturbation compared to thermodynamic integration and umbrella sampling: Application to an enzymatic reaction. Journal of Chemical Theory and Computation 2006, 2, 452–461.
2005
Zeitschriftenartikel
Funcke, S. A.; Otte, N.; Eggert, T.; Bocola, M.; Jaeger, K.-E.; Thiel, W. Combination of computational prescreening and experimental library construction can accelerate enzyme optimization by directed evolution. Protein Engineering Design & Selection 2005, 18, 509–514.
2004
Zeitschriftenartikel
Bocola, M.; Otte, N.; Jaeger, K.-E.; Reetz, M. T.; Thiel, W. Learning from directed evolution: Theoretical investigations into cooperative mutations in lipase enantioselectivity. ChemBioChem 2004, 5, 214–223.
2003
Zeitschriftenartikel
Funke, S. A.; Eipper, A.; Reetz, M. T.; Otte, N.; Thiel, W.; Van Pouderoyen, G.; Dijkstra, B. W.; Jaeger, K.-E.; Eggert, T. Directed evolution of an enantioselective Bacillus subtilis lipase. Biocatalysis and Biotransformation 2003, 21, 67–73.

Hochschulschrift - Doktorarbeit (1)

2006
Hochschulschrift - Doktorarbeit
Otte, N. Combined Quantum Mechanical / Molecular Mechanical Investigation of Enantioselective Reactions in Lipases. Doktorarbeit, Heinrich-Heine-Universität, Düsseldorf.
Zur Redakteursansicht