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 30, S. 154 - 162 (2009)
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 111, S. 5751 - 5755 (2007)
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 8, S. 106 - 112 (2007)
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 2, S. 452 - 461 (2006)
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 18 (11), S. 509 - 514 (2005)
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 5 (2), S. 214 - 223 (2004)
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 21 (2), S. 67 - 73 (2003)

Hochschulschrift - Doktorarbeit (1)

2006
Hochschulschrift - Doktorarbeit
Otte, N.: Combined Quantum Mechanical / Molecular Mechanical Investigation of Enantioselective Reactions in Lipases. Dissertation, Heinrich-Heine-Universität, Düsseldorf (2006)
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