Evaluation and optimization of virtual screening workflows with DEKOIS 2.0–a public library of challenging docking benchmark sets MR Bauer, TM Ibrahim, SM Vogel, FM Boeckler Journal of chemical information and modeling 53 (6), 1447-1462, 2013 | 172 | 2013 |
DEKOIS: Demanding Evaluation Kits for Objective in Silico Screening A Versatile Tool for Benchmarking Docking Programs and Scoring Functions SM Vogel, MR Bauer, FM Boeckler Journal of chemical information and modeling 51 (10), 2650-2665, 2011 | 88 | 2011 |
Lithocholic acid is an endogenous inhibitor of MDM4 and MDM2 SM Vogel, MR Bauer, AC Joerger, R Wilcken, T Brandt, DB Veprintsev, ... Proceedings of the National Academy of Sciences 109 (42), 16906-16910, 2012 | 69 | 2012 |
Trisubstituted and tetrasubstituted pyrazolines as a novel class of cell-growth inhibitors in tumor cells with wild type p53 M Abdel-Halim, AB Keeton, E Gurpinar, BD Gary, SM Vogel, M Engel, ... Bioorganic & medicinal chemistry 21 (23), 7343-7356, 2013 | 12 | 2013 |
Use of DEKOIS 2.0 to gain insights for virtual screening FM Boeckler, MR Bauer, TM Ibrahim, SM Vogel Journal of Cheminformatics 6, 1-1, 2014 | 9 | 2014 |
Potentiometric determination of ionisation constants for diphacinone and chlorophacinone in a dioxane–water cosolvent system J Chan, SM Vogel, J Wen, RG Alany Journal of pharmaceutical and biomedical analysis 50 (1), 86-89, 2009 | 8 | 2009 |
New targets addressed by DEKOIS 2.0: Demanding evaluation kits for objective in-silico screening FM Boeckler, MR Bauer, TMIM Abdelrehim, SM Vogel ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 245, 2013 | | 2013 |
From DEKOIS to LCA-applied virtual screening and biophysical studies on cancer targets and their impact on refinement of in Silico methods SM Vogel | | 2012 |