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)

The Structural Basis for Activation and Inhibition of ZAP-70 Kinase Domain. - Roland G. Huber; Hao Fan; Peter J. Bond (PLoS Comput. Biol., 2015)

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)

Energetic Fingerprinting of Ligand Binding to Paralogous Proteins: The Case of the Apoptotic Pathway. - Stefan M. Ivanov; Roland G. Huber; Irfan Alibay; Jim Warwicker; Peter J. Bond (J. Chem. Inf. Model., 2019)

Extending the Martini Coarse-Grained Force Field to N-Glycans. - Aishwary T. Shivgan; Jan K. Marzinek; Roland G. Huber; Alexander Krah; Richard H. Henchman; Paul Matsudaira; Chandra S. Verma 001; Peter J. Bond (J. Chem. Inf. Model., 2020)

RiNALMo: General-Purpose RNA Language Models Can Generalize Well on Structure Prediction Tasks. - Rafael Josip Penic; Tin Vlasic; Roland G. Huber; Yue Wan; Mile Sikic (CoRR, 2024)