Publications of Marco Bocola

Sun, Z.; Wu, L.; Bocola, M.; Chan, H. C. S.; Lonsdale, R.; Kong, X.-D.; Yuan, S.; Zhou, J.; Reetz, M. T.: Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations. Journal of the American Chemical Society 140 (1), pp. 310 - 318 (2018)

Prasad, S.; Bocola, M.; Reetz, M. T.: Revisiting the Lipase from Pseudomonas aeruginosa: Directed Evolution of Substrate Acceptance and Enantioselectivity Using Iterative Saturation Mutagenesis. ChemPhysChem 12, pp. 1550 - 1557 (2011)

Reetz, M. T.; Prasad, S.; Carballeira, J. D.; Gumulya, Y.; Bocola, M.: Iterative Saturation Mutagenesis Accelerates Laboratory Evolution of Enzyme Stereoselectivity: Rigorous Comparison with Traditional Methods. Journal of the American Chemical Society 132, pp. 9144 - 9152 (2010)

Klundt, T.; Bocola, M.; Lütge, M.; Beuerle, T.; Liu, B. Y.; Beerhues, L.: A Single Amino Acid Substitution Converts Benzophenone Synthase into Phenylpyrone Synthase. Journal of Biological Chemistry 284, pp. 30957 - 30964 (2009)

Otte, N.; Bocola, M.; Thiel, W.: Force-Field Parameters for the Simulation of Tetrahedral Intermediates of Serine Hydrolases. Journal of Computational Chemistry 30, pp. 154 - 162 (2009)

Reetz, M. T.; Bocola, M.; Wang, L.-W.; Sanchis, J.; Cronin, A.; Arand, M.; Zou, J.; Archelas, A.; Bottalla, A.-L.; Naworyta, A. et al.; Mowbray, S. L.: Directed Evolution of an Enantioselective Epoxide Hydrolase: Uncovering the Source of Enantioselectivity at Each Evolutionary Stage. Journal of the American Chemical Society 131, pp. 7334 - 7343 (2009)

Carballeira, J. D.; Krumlinde, P.; Bocola, M.; Vogel, A.; Reetz, M. T.; Bäckvall, J.-E.: Directed evolution and axial chirality: optimization of the enantioselectivity of Pseudomonas aeruginosa lipase towards the kinetic resolution of a racemic allene. Chemical Communications (Cambridge, U. K.), pp. 1913 - 1915 (2007)

Kasrayan, A.; Bocola, M.; Sandström, A. G.; Lavén, G.; Bäckvall, J. E.: Prediction of the Candida antarctica lipase A protein structure by comparative Modeling and site-directed mutagenesis. ChemBioChem 8, pp. 1409 - 1415 (2007)

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, pp. 106 - 112 (2007)

Reetz, M. T.; Wang, L.-W.; Bocola, M.: Directed evolution of enantioselective enzymes: Iterative cycles of CASTing for probing protein-sequence space. Angewandte Chemie-International Edition 45, pp. 1236 - 1241 (2006)

Reetz, M. T.; Wang, L.-W.; Bocola, M.: Directed evolution of enantioselective enzymes: Iterative cycles of CASTing for probing protein-sequence space. Angewandte Chemie 118, pp. 1258 - 1263 (2006)

Bocola, M.; Schulz, F.; Leca, F.; Vogel, A.; Fraaije, M. W.; Reetz, M. T.: Converting phenylacetone monooxygenase into phenylcyclohexanone monooxygenase by rational design: Towards practical Baeyer-Villiger monooxygenases. Advanced Synthesis & Catalysis 347 (7-8), pp. 979 - 986 (2005)

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), pp. 509 - 514 (2005)

Koch, O.; Bocola, M.; Klebe, G.: Cooperative Effects in Hydrogen-Bonding of Protein Secondary Structure Elements: A Systematic Analysis of Crystal Data Using Secbase. Proteins:Structure, Function, and Bioinformatics 61, pp. 310 - 317 (2005)

Reetz, M. T.; Bocola, M.; Carballeira, J. D.; Zha, D.; Vogel, A.: Expanding the range of substrate acceptance of enzymes: Combinatorial active-site saturation test. Angewandte Chemie-International Edition 44 (27), pp. 4192 - 4196 (2005)

Reetz, M. T.; Bocola, M.; Carballeira, J. D.; Zha, D.; Vogel, A.: Expanding the range of substrate acceptance of enzymes: combinatorial active-site saturation test. Angewandte Chemie 117, pp. 4264 - 4268 (2005)

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), pp. 214 - 223 (2004)

Reetz, M. T.; Torre, C.; Eipper, A.; Lohmer, R.; Hermes, M.; Brunner, B.; Maichele, A.; Bocola, M.; Arand, M.; Cronin, A. et al.; Genzel, Y.; Archelas, A.; Furstoss, R.: Enhancing the enantioselectivity of an epoxide hydrolase by directed evolution. Organic Letters 6 (2), pp. 177 - 180 (2004)