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ACS Omega|January 23, 2023
Machine Learning for Fast, Quantum Mechanics-Based Approximation of Drug LipophilicityClemens Isert, Jimmy C Kromann, Nikolaus Stiefl, et al.Journal of the American Chemical Society|May 8, 2018
Native Electrospray Ionization Mass Spectrometry Reveals Multiple Facets of Aptamer-Ligand Interactions: From Mechanism to Binding ConstantsBasri Gülbakan, Konstantin Barylyuk, Petra Schneider, et al.Combinatorial Chemistry & High Throughput Screening|June 22, 2006
A pseudo-ligand approach to virtual screeningAndreas Schüller, Uli Fechner, Steffen Renner, et al.Journal of Computational Chemistry|August 30, 2008
PhAST: pharmacophore alignment search toolVolker Hähnke, Bettina Hofmann, Tomislav Grgat, et al.Angewandte Chemie (International Ed. in English)|March 8, 2019
Identification of Chemokine Ligands by Biochemical Fragmentation and Simulated Peptide EvolutionJens-Alexander Fuchs, Cyrill Brunner, Philipp Schineis, et al.Plos One|April 13, 2011
Inhibitors of Helicobacter pylori protease HtrA found by 'virtual ligand' screening combat bacterial invasion of epitheliaMartin Löwer, Tim Geppert, Petra Schneider, et al.Molecular Informatics|July 28, 2016
Missing Value Estimation for Compound-Target Activity DataYusuf Tanrikulu, Rama Kondru, Gisbert Schneider, et al.Chembiochem : a European Journal of Chemical Biology|May 11, 2005
New inhibitors of the Tat-TAR RNA interaction found with a "fuzzy" pharmacophore modelSteffen Renner, Verena Ludwig, Oliver Boden, et al.Plos One|August 14, 2015
In Silico Adoption of an Orphan Nuclear Receptor NR4A1Harald Lanig, Felix Reisen, David Whitley, et al.Cell Cycle (Georgetown, Tex.)|February 9, 2010
Biological impact of freezing Plk1 in its inactive conformation in cancer cellsSarah Keppner, Ewgenij Proschak, Manfred Kaufmann, et al.Pageof 34