Marco Bocola

发表

What's My Substrate? Computational Function Assignment of Candida parapsilosis ADH5 by Genome Database Search, Virtual Screening, and QM/MM Calculations

Ulrich Schwaneberg, Gaurao V. Dhoke, Yunus Ensari, 2016, J. Chem. Inf. Model..

TransCent: Computational enzyme design by transferring active sites and considering constraints relevant for catalysis

Rainer Merkl, André Fischer, Gerd Neudert, 2009, BMC Bioinformatics.

Activity prediction of substrates in NADH-dependent carbonyl reductase by docking requires catalytic constraints and charge parameterization of catalytic zinc environment

Ulrich Schwaneberg, Gaurao V. Dhoke, Marco Bocola, 2015, Journal of Computer-Aided Molecular Design.

Force‐field parameters for the simulation of tetrahedral intermediates of serine hydrolases

Walter Thiel, Marco Bocola, Nikolaj Otte, 2009, J. Comput. Chem..

A QM/MM study on the fast photocycle of blue light using flavin photoreceptors in their light-adapted/active form.

Marco Bocola, Martin Schütz, M. Schütz, 2010, Physical chemistry chemical physics : PCCP.

Expanding the range of substrate acceptance of enzymes: combinatorial active-site saturation test.

Andreas Vogel, Manfred T Reetz, Marco Bocola, 2005, Angewandte Chemie.

Reengineered glucose oxidase for amperometric glucose determination in diabetes analytics.

Ulrich Schwaneberg, Marco Bocola, Thomas Meier, 2013, Biosensors & bioelectronics.

P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation.

Ulrich Schwaneberg, Aamir Shehzad, Matthias Wilmanns, 2013, Chemical communications.

QM/MM Calculations Revealing the Resting and Catalytic States in Zinc-Dependent Medium-Chain Dehydrogenases/Reductases

Ulrich Schwaneberg, Gaurao V. Dhoke, Mehdi D. Davari, 2015 .

A Fast and Precise Approach for Computational Saturation Mutagenesis and its Experimental Validation by Using an Artificial (βα)8‐Barrel Protein

Rainer Merkl, Marco Bocola, Reinhard Sterner, 2011, Chembiochem : a European journal of chemical biology.

Stabilisation of a (betaalpha)8-barrel protein designed from identical half barrels.

Marco Bocola, Reinhard Sterner, Tobias Seitz, 2007, Journal of molecular biology.

Enhancing the enantioselectivity of an epoxide hydrolase by directed evolution.

Yvonne Genzel, Manfred T Reetz, Marco Bocola, 2004, Organic letters.

Directed evolution of enantioselective enzymes: iterative cycles of CASTing for probing protein-sequence space.

Manfred T Reetz, Marco Bocola, M. Reetz, 2006, Angewandte Chemie.

An engineered outer membrane pore enables an efficient oxygenation of aromatics and terpenes

Ulrich Schwaneberg, Anna Joëlle Ruff, Marco Bocola, 2016 .

Converting Phenylacetone Monooxygenase into Phenylcyclohexanone Monooxygenase by Rational Design: Towards Practical Baeyer-Villiger Monooxygenases

Manfred T. Reetz, Andreas Vogel, Frank Schulz, 2005 .

Mutations in MurE, the essential UDP-N-acetylmuramoylalanyl-d-glutamate 2,6-diaminopimelate ligase of Corynebacterium glutamicum: effect on l-lysine formation and analysis of systemic consequences

Jan Marienhagen, Stephan Noack, Michael Bott, 2017, Biotechnology Letters.

A Highly Active Biohybrid Catalyst for Olefin Metathesis in Water: Impact of a Hydrophobic Cavity in a β-Barrel Protein

Tsuyoshi Inoue, Takashi Hayashi, Ulrich Schwaneberg, 2015 .

Learning from Directed Evolution: Further Lessons from Theoretical Investigations into Cooperative Mutations in Lipase Enantioselectivity

Walter Thiel, Andreas Vogel, Karl-Erich Jaeger, 2007, Chembiochem : a European journal of chemical biology.

Iterative saturation mutagenesis accelerates laboratory evolution of enzyme stereoselectivity: rigorous comparison with traditional methods.

Yosephine Gumulya, Manfred T Reetz, Marco Bocola, 2010, Journal of the American Chemical Society.

A novel epitope-presenting thermostable scaffold for the development of highly specific insulin-like growth factor-1/2 antibodies

Marco Bocola, Christian Scholz, M. Bocola, 2019, The Journal of Biological Chemistry.

Lessons from diversity of directed evolution experiments by an analysis of 3,000 mutations

Ulrich Schwaneberg, Marco Bocola, Jing Zhao, 2014, Biotechnology and bioengineering.

A conclusive mechanism of the photoinduced reaction cascade in blue light using flavin photoreceptors.

Marco Bocola, Martin Schütz, M. Schütz, 2008, Journal of the American Chemical Society.

Stabilisation of a (βα) 8 -Barrel Protein Designed from Identical Half Barrels

Marco Bocola, Reinhard Sterner, Tobias Seitz, 2007 .

Directed evolution of an enantioselective epoxide hydrolase: uncovering the source of enantioselectivity at each evolutionary stage.

Manfred T Reetz, Marco Bocola, Joaquin Sanchis, 2009, Journal of the American Chemical Society.