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 2018, 140, 310–318.

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 2011, 12, 1550–1557.

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 2010, 132, 9144–9152.

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 2009, 284, 30957–30964.

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.

Reetz, M. T.; Bocola, M.; Wang, L.-W.; Sanchis, J.; Cronin, A.; Arand, M.; Zou, J.; Archelas, A.; Bottalla, A.-L.; Naworyta, A.; 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 2009, 131, 7334–7343.

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.) 2007, 1913–1915.

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 2007, 8, 1409–1415.

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.

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 2006, 45, 1236–1241.

Reetz, M. T.; Wang, L.-W.; Bocola, M. Directed Evolution of Enantioselective Enzymes: Iterative Cycles of CASTing for Probing Protein-Sequence Space. Angewandte Chemie 2006, 118, 1258–1263.

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 2005, 347, 979–986.

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.

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 2005, 61, 310–317.

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 2005, 44, 4192–4196.

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 2005, 117, 4264–4268.

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.

Reetz, M. T.; Torre, C.; Eipper, A.; Lohmer, R.; Hermes, M.; Brunner, B.; Maichele, A.; Bocola, M.; Arand, M.; Cronin, A.; Genzel, Y.; Archelas, A.; Furstoss, R. Enhancing the Enantioselectivity of an Epoxide Hydrolase by Directed Evolution. Organic Letters 2004, 6, 177–180.