Marco Bocola

According to our database, Marco Bocola authored at least 4 papers between 2009 and 2016.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2016

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

Gaurao V. Dhoke, Yunus Ensari, Mehdi D. Davari, Anna Joëlle Ruff, Ulrich Schwaneberg, Marco Bocola

J. Chem. Inf. Model., 2016

2015

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

Gaurao V. Dhoke, Christoph Loderer, Mehdi D. Davari, Marion Ansorge-Schumacher, Ulrich Schwaneberg, Marco Bocola

J. Comput. Aided Mol. Des., 2015

2009

Force-field parameters for the simulation of tetrahedral intermediates of serine hydrolases.

Nikolaj Otte, Marco Bocola, Walter Thiel

J. Comput. Chem., 2009

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

André Fischer, Nils Enkler, Gerd Neudert, Marco Bocola, Reinhard Sterner, Rainer Merkl

BMC Bioinform., 2009