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)

Hydration of Aromatic Heterocycles as an Adversary of π-Stacking. - Johannes R. Loeffler; Michael Schauperl; Klaus R. Liedl (J. Chem. Inf. Model., 2019)

Macrocycle Cell Permeability Measured by Solvation Free Energies in Polar and Apolar Environments. - Anna S. Kamenik; Johannes Kraml; Florian Hofer 002; Franz Waibl; Patrick K. Quoika; Ursula Kahler; Michael Schauperl; Klaus R. Liedl (J. Chem. Inf. Model., 2020)

Solvation Thermodynamics in Different Solvents: Water-Chloroform Partition Coefficients from Grid Inhomogeneous Solvation Theory. - Johannes Kraml; Florian Hofer 002; Anna S. Kamenik; Franz Waibl; Ursula Kahler; Michael Schauperl; Klaus R. Liedl (J. Chem. Inf. Model., 2020)

STACKED - Solvation Theory of Aromatic Complexes as Key for Estimating Drug Binding. - Johannes R. Loeffler; Monica L. Fernández-Quintero; Michael Schauperl; Klaus R. Liedl (J. Chem. Inf. Model., 2020)

Benchmarking Electronic Structure Methods for Accurate Fixed-Charge Electrostatic Models. - Alex Zhou; Michael Schauperl; Paul S. Nerenberg (J. Chem. Inf. Model., 2020)

Experimental characterization of the association of β-cyclodextrin and eight novel cyclodextrin derivatives with two guest compounds. - K. Kellett; David R. Slochower; Michael Schauperl; B. M. Duggan; Michael K. Gilson (J. Comput. Aided Mol. Des., 2021)

AI-Based Protein Structure Prediction in Drug Discovery: Impacts and Challenges. - Michael Schauperl; Rajiah Aldrin Denny (J. Chem. Inf. Model., 2022)