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Structure (London, England : 1993)|December 10, 2013
Hitting a moving target: targeting transient protein statesMatthias R Bauer, Frank M BoecklerJournal of Cheminformatics|June 3, 2015
Applying DEKOIS 2.0 in structure-based virtual screening to probe the impact of preparation procedures and score normalizationTamer M Ibrahim, Matthias R Bauer, Frank M BoecklerJournal of Chemical Information and Modeling|July 22, 2011
DEKOIS: demanding evaluation kits for objective in silico screening--a versatile tool for benchmarking docking programs and scoring functionsSimon M Vogel, Matthias R Bauer, Frank M BoecklerJournal of Chemical Information and Modeling|May 28, 2013
Evaluation and optimization of virtual screening workflows with DEKOIS 2.0--a public library of challenging docking benchmark setsMatthias R Bauer, Tamer M Ibrahim, Simon M Vogel, et al.Journal of Cheminformatics|July 12, 2013
Inferring multi-target QSAR models with taxonomy-based multi-task learningLars Rosenbaum, Alexander Dörr, Matthias R Bauer, et al.Journal of Chemical Information and Modeling|October 6, 2015
pROC-Chemotype Plots Enhance the Interpretability of Benchmarking Results in Structure-Based Virtual ScreeningTamer M Ibrahim, Matthias R Bauer, Alexander Dörr, et al.Frontiers in Chemistry|November 30, 2020
Supporting SARS-CoV-2 Papain-Like Protease Drug Discovery: <i>In silico</i> Methods and BenchmarkingTamer M Ibrahim, Muhammad I Ismail, Matthias R Bauer, et al.Plos Computational Biology|January 24, 2014
Machine learning estimates of natural product conformational energiesMatthias Rupp, Matthias R Bauer, Rainer Wilcken, et al.ACS Chemical Biology|September 18, 2015
Experimental and Theoretical Evaluation of the Ethynyl Moiety as a Halogen BioisostereRainer Wilcken, Markus O Zimmermann, Matthias R Bauer, et al.ACS Chemical Biology|June 9, 2016
Harnessing Fluorine-Sulfur Contacts and Multipolar Interactions for the Design of p53 Mutant Y220C Rescue DrugsMatthias R Bauer, Rhiannon N Jones, Matthias G J Baud, et al.Pageof 9