Researcher Portfolio
Senn, Hans Martin
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society, Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society
Researcher Profile
Position: Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society
Position: Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society
Researcher ID: https://pure.mpg.de/cone/persons/resource/persons58995
External references
WorldCat
Search for Senn, Hans Martin
Google Scholar
Search for Senn, Hans Martin
Publications
: Senn, H. M., Kästner, J., Breidung, J., & Thiel, W. (2009). Finite-temperature effects in enzymatic reactions - Insights from QM/MM free-energy simulations. Canadian Journal of Chemistry-Revue Canadienne de Chimie, 87, 1322-1337. doi:10.1139/V09-092. [PubMan] : Senn, H. M., & Thiel, W. (2009). QM/MM-Methoden für biomolekulare Systeme. Angewandte Chemie, 121, 1220-1254. doi:10.1002/ange.200802019. [PubMan] : Senn, H. M., & Thiel, W. (2009). QM/MM Methods for Biomolecular Systems. Angewandte Chemie-International Edition, 48, 1198-1229. doi:10.1002/anie.200802019. [PubMan] : Kästner, J., Thiel, S., Senn, H. M., Sherwood, P., & Thiel, W. (2007). Exploiting QM/MM capabilities in geometry optimization: A microiterative approach using electrostatic embedding. Journal of Chemical Theory and Computation, 3, 1064-1072. doi:10.1021/ct600346p. [PubMan] : Senn, H. M., & Thiel, W. (2007). QM/MM studies of enzymes. Current Opinion in Chemical Biology, 11, 182-187. doi:10.1016/j.cbpa.2007.01.684. [PubMan] : Senn, H. M., & Thiel, W. (2007). QM/MM methods for biological systems. In M. Reiher (Ed. ), Atomistic Approaches in Modern Biology: From Quantum Chemistry to Molecular Simulations (pp. 173-290). Berlin: Springer-Verlag. [PubMan] : Kästner, J., Senn, H. M., Thiel, S., Otte, N., & Thiel, W. (2006). QM/MM free-energy perturbation compared to thermodynamic integration and umbrella sampling: Application to an enzymatic reaction. Journal of Chemical Theory and Computation, 2, 452-461. doi:10.1021/ct050252w. [PubMan] : Seth, M., Senn, H. M., & Ziegler, T. (2005). The influence of solvation and finite temperatures on the Wittig reactions: a theoretical study. Journal of Physical Chemistry A, 109, 5136-5143. doi:10.1021/jp045318i. [PubMan] : Senn, H. M., O'Hagan, D., & Thiel, W. (2005). Insight into enzymatic C-F bond formation from QM and QM/MM calculations. Journal of the American Chemical Society, 127(39), 13643-13655. doi:10.1021/ja053875s. [PubMan] : Senn, H. M., Thiel, S., & Thiel, W. (2005). Enzymatic hydroxylation in p-hydroxybenzoate hydroxylase: A case study for QM/MM molecular dynamics. Journal of Chemical Theory and Computation, 1(3), 494-505. doi:10.1021/ct049844p. [PubMan] : Senn, H. M., & Ziegler, T. (2004). Oxidative addition of aryl halides to palladium(0) complexes: A density-functional study including solvation. Organometallics, 23(12), 2980-2988. doi:10.1021/om049963n. [PubMan] : Senn, H. M., Margl, P. M., Schmid, R., Ziegler, T., & Blochl, P. E. (2003). Ab initio molecular dynamics with a continuum solvation model. Journal of Chemical Physics, 118(3), 1089-1100. doi:10.1063/1.1528890. [PubMan]