Matthias R. Bauer

Publication Activity (10 Years)

Years Active: 2011-2022
Publications (10 Years): 2

Top Topics

Virtual Screening

Top Venues

J. Cheminformatics

J. Chem. Inf. Model.

PLoS Comput. Biol.

Publications

J. Harry Moore, Matthias R. Bauer, Jeff Guo, Atanas Patronov, Ola Engkvist, Christian Margreitter
generated small molecules. Bioinform. 38 (21) (2022)
Jeff Guo, Jon Paul Janet, Matthias R. Bauer, Eva Nittinger, Kathryn A. Giblin, Kostas Papadopoulos, Alexey Voronov, Atanas Patronov, Ola Engkvist, Christian Margreitter
DockStream: a docking wrapper to enhance de novo molecular design. J. Cheminformatics 13 (1) (2021)
Tamer M. Ibrahim, Matthias R. Bauer, Frank M. Boeckler
Applying DEKOIS 2.0 in structure-based virtual screening to probe the impact of preparation procedures and score normalization. J. Cheminformatics 7 (2015)
Tamer M. Ibrahim, Matthias R. Bauer, Alexander Dörr, Erdem Veyisoglu, Frank M. Boeckler
pROC-Chemotype Plots Enhance the Interpretability of Benchmarking Results in Structure-Based Virtual Screening. J. Chem. Inf. Model. 55 (11) (2015)
Matthias Rupp, Matthias R. Bauer, Rainer Wilcken, Andreas Lange, Michael Reutlinger, Frank M. Boeckler, Gisbert Schneider
Machine Learning Estimates of Natural Product Conformational Energies. PLoS Comput. Biol. 10 (1) (2014)
Tamer M. Ibrahim, Matthias R. Bauer, Frank M. Boeckler
Probing the impact of protein and ligand preparation procedures on chemotype enrichment in structure-based virtual screening using DEKOIS 2.0 benchmark sets. J. Cheminformatics 6 (S-1) (2014)
Frank M. Boeckler, Matthias R. Bauer, Tamer M. Ibrahim, Simon M. Vogel
Use of DEKOIS 2.0 to gain insights for virtual screening. J. Cheminformatics 6 (S-1) (2014)
Lars Rosenbaum, Alexander Dörr, Matthias R. Bauer, Frank M. Boeckler, Andreas Zell
Inferring multi-target QSAR models with taxonomy-based multi-task learning. J. Cheminformatics 5 (2013)
Matthias R. Bauer, Tamer M. Ibrahim, Simon M. Vogel, Frank M. Boeckler
Evaluation and Optimization of Virtual Screening Workflows with DEKOIS 2.0 - A Public Library of Challenging Docking Benchmark Sets. J. Chem. Inf. Model. 53 (6) (2013)
Simon M. Vogel, Matthias R. Bauer, Frank M. Boeckler
Screening - A Versatile Tool for Benchmarking Docking Programs and Scoring Functions. J. Chem. Inf. Model. 51 (10) (2011)