Marco Bocola

Publication Activity (10 Years)

Years Active: 2009-2016
Publications (10 Years): 1

Top Topics

Chemical Structures

Prediction Accuracy

Indexing Structure

Similarity Searching

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Gaurao V. Dhoke, Yunus Ensari, Mehdi D. Davari, Anna Joëlle Ruff, Ulrich Schwaneberg, Marco Bocola
ADH5 by Genome Database Search, Virtual Screening, and QM/MM Calculations. J. Chem. Inf. Model. 56 (7) (2016)
Gaurao V. Dhoke, Christoph Loderer, Mehdi D. Davari, Marion Ansorge-Schumacher, Ulrich Schwaneberg, Marco Bocola
Activity prediction of substrates in NADH-dependent carbonyl reductase by docking requires catalytic constraints and charge parameterization of catalytic zinc environment. J. Comput. Aided Mol. Des. 29 (11) (2015)
André Fischer, Nils Enkler, Gerd Neudert, Marco Bocola, Reinhard Sterner, Rainer Merkl
TransCent: Computational enzyme design by transferring active sites and considering constraints relevant for catalysis. BMC Bioinform. 10 (2009)
Nikolaj Otte, Marco Bocola, Walter Thiel
Force-field parameters for the simulation of tetrahedral intermediates of serine hydrolases. J. Comput. Chem. 30 (1) (2009)