Minor Groove Binders and Drugs Targeting Proteins Cover Complementary Regions in Chemical Shape Space. - Julian E. Fuchs; Gudrun M. Spitzer; Ameera Javed; Adam Biela; Christoph Kreutz; Bernd Wellenzohn; Klaus R. Liedl (J. Chem. Inf. Model., 2011)

Rationalizing Tight Ligand Binding through Cooperative Interaction Networks. - Bernd Kuhn; Julian E. Fuchs; Michael Reutlinger; Martin Stahl; Neil R. Taylor (J. Chem. Inf. Model., 2011)

Substrate Sequences Tell Similar Stories as Binding Cavities: Commentary. - Julian E. Fuchs; Klaus R. Liedl (J. Chem. Inf. Model., 2013)

Substrate-Driven Mapping of the Degradome by Comparison of Sequence Logos. - Julian E. Fuchs; Susanne von Grafenstein; Roland G. Huber; Christian Kramer; Klaus R. Liedl (PLoS Comput. Biol., 2013)

Cleavage Entropy as Quantitative Measure of Protease Specificity. - Julian E. Fuchs; Susanne von Grafenstein; Roland G. Huber; Michael A. Margreiter; Gudrun M. Spitzer; Hannes G. Wallnoefer; Klaus R. Liedl (PLoS Comput. Biol., 2013)

Heteroaromatic π-Stacking Energy Landscapes. - Roland G. Huber; Michael A. Margreiter; Julian E. Fuchs; Susanne von Grafenstein; Christofer S. Tautermann; Klaus R. Liedl; Thomas Fox (J. Chem. Inf. Model., 2014)

Matched Peptides: Tuning Matched Molecular Pair Analysis for Biopharmaceutical Applications. - Julian E. Fuchs; Bernd Wellenzohn; Nils Weskamp; Klaus R. Liedl (J. Chem. Inf. Model., 2015)

Strong Nonadditivity as a Key Structure-Activity Relationship Feature: Distinguishing Structural Changes from Assay Artifacts. - Christian Kramer; Julian E. Fuchs; Klaus R. Liedl (J. Chem. Inf. Model., 2015)

Kinetic barriers in the isomerization of substituted ureas: implications for computer-aided drug design. - Johannes R. Loeffler; Emanuel S. R. Ehmki; Julian E. Fuchs; Klaus R. Liedl (J. Comput. Aided Mol. Des., 2016)

Protease Inhibitors in View of Peptide Substrate Databases. - Birgit J. Waldner; Julian E. Fuchs; Michael Schauperl; Christian Kramer; Klaus R. Liedl (J. Chem. Inf. Model., 2016)

Binding Pose Flip Explained via Enthalpic and Entropic Contributions. - Michael Schauperl; Paul Czodrowski; Julian E. Fuchs; Roland G. Huber; Birgit J. Waldner; Maren Podewitz; Christian Kramer; Klaus R. Liedl (J. Chem. Inf. Model., 2017)

Peptidic Macrocycles - Conformational Sampling and Thermodynamic Characterization. - Anna S. Kamenik; Uta F. Lessel; Julian E. Fuchs; Thomas Fox; Klaus R. Liedl (J. Chem. Inf. Model., 2018)

Understanding Structure-Activity Relationships for Trypanosomal Cysteine Protease Inhibitors by Simulations and Free Energy Calculations. - Lucianna Helene Santos; Birgit J. Waldner; Julian E. Fuchs; Glaécia A. N. Pereira; Klaus R. Liedl; Ernesto Raúl Caffarena; Rafaela Salgado Ferreira (J. Chem. Inf. Model., 2019)