Matthias R. Bauer

According to our database, Matthias R. Bauer authored at least 10 papers between 2011 and 2022.

Collaborative distances:

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

2022

Icolos: a workflow manager for structure-based post-processing of <i>de novo</i> generated small molecules.

J. Harry Moore, Matthias R. Bauer, Jeff Guo, Atanas Patronov, Ola Engkvist, Christian Margreitter

Bioinform., October, 2022

2021

DockStream: a docking wrapper to enhance de novo molecular design.

Jeff Guo, Jon Paul Janet, Matthias R. Bauer, Eva Nittinger, Kathryn A. Giblin, Kostas Papadopoulos, Alexey Voronov, Atanas Patronov, Ola Engkvist, Christian Margreitter

J. Cheminformatics, 2021

2015

pROC-Chemotype Plots Enhance the Interpretability of Benchmarking Results in Structure-Based Virtual Screening.

Tamer M. Ibrahim, Matthias R. Bauer, Alexander Dörr, Erdem Veyisoglu, Frank M. Boeckler

J. Chem. Inf. Model., 2015

Applying DEKOIS 2.0 in structure-based virtual screening to probe the impact of preparation procedures and score normalization.

Tamer M. Ibrahim, Matthias R. Bauer, Frank M. Boeckler

J. Cheminformatics, 2015

2014

Machine Learning Estimates of Natural Product Conformational Energies.

Matthias Rupp, Matthias R. Bauer, Rainer Wilcken, Andreas Lange, Michael Reutlinger, Frank M. Boeckler, Gisbert Schneider

PLoS Comput. Biol., 2014

Probing the impact of protein and ligand preparation procedures on chemotype enrichment in structure-based virtual screening using DEKOIS 2.0 benchmark sets.

Tamer M. Ibrahim, Matthias R. Bauer, Frank M. Boeckler

J. Cheminformatics, 2014

Use of DEKOIS 2.0 to gain insights for virtual screening.

Frank M. Boeckler, Matthias R. Bauer, Tamer M. Ibrahim, Simon M. Vogel

J. Cheminformatics, 2014

2013

Evaluation and Optimization of Virtual Screening Workflows with DEKOIS 2.0 - A Public Library of Challenging Docking Benchmark Sets.

Matthias R. Bauer, Tamer M. Ibrahim, Simon M. Vogel, Frank M. Boeckler

J. Chem. Inf. Model., 2013

Inferring multi-target QSAR models with taxonomy-based multi-task learning.

Lars Rosenbaum, Alexander Dörr, Matthias R. Bauer, Frank M. Boeckler, Andreas Zell

J. Cheminformatics, 2013

2011

DEKOIS: Demanding Evaluation Kits for Objective <i>in Silico</i> Screening - A Versatile Tool for Benchmarking Docking Programs and Scoring Functions.

Simon M. Vogel, Matthias R. Bauer, Frank M. Boeckler

J. Chem. Inf. Model., 2011