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Plos Computational Biology|January 24, 2014
Machine learning estimates of natural product conformational energiesMatthias Rupp, Matthias R Bauer, Rainer Wilcken, et al.Angewandte Chemie (International Ed. in English)|December 6, 2014
Multidimensional de novo design reveals 5-HT2B receptor-selective ligandsTiago Rodrigues, Nadine Hauser, Daniel Reker, et al.Angewandte Chemie (International Ed. in English)|December 4, 2018
Simulated Molecular Evolution for Anticancer Peptide DesignClaudia S Neuhaus, Gisela Gabernet, Christian Steuer, et al.Plos One|August 6, 2011
Spherical harmonics coefficients for ligand-based virtual screening of cyclooxygenase inhibitorsQuan Wang, Kerstin Birod, Carlo Angioni, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|May 17, 2012
Discovery of small-molecule interleukin-2 inhibitors from a DNA-encoded chemical libraryMarkus Leimbacher, Yixin Zhang, Luca Mannocci, et al.Journal of Medicinal Chemistry|September 26, 2014
Extending the structure-activity relationship of anthranilic acid derivatives as farnesoid X receptor modulators: development of a highly potent partial farnesoid X receptor agonistDaniel Merk, Christina Lamers, Khalil Ahmad, et al.Proceedings of the National Academy of Sciences of the United States of America|July 8, 2009
Model structure of APOBEC3C reveals a binding pocket modulating ribonucleic acid interaction required for encapsidationBenjamin Stauch, Henning Hofmann, Mario Perkovic, et al.Redox Biology|November 16, 2020
Engineering of a functional γ-tocopherol transfer proteinWalter Aeschimann, Stephan Kammer, Stefanie Staats, et al.Journal of Molecular Modeling|October 7, 2006
SOMMER: self-organising maps for education and researchMichael Schmuker, Florian Schwarte, André Brück, et al.Communications Chemistry|January 29, 2025
fragSMILES as a chemical string notation for advanced fragment and chirality representationFabrizio Mastrolorito, Fulvio Ciriaco, Maria Vittoria Togo, et al.Pageof 34