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)

X-Entropy: A Parallelized Kernel Density Estimator with Automated Bandwidth Selection to Calculate Entropy. - Johannes Kraml; Florian Hofer 002; Patrick K. Quoika; Anna S. Kamenik; Klaus R. Liedl (J. Chem. Inf. Model., 2021)

pyPolyBuilder: Automated Preparation of Molecular Topologies and Initial Configurations for Molecular Dynamics Simulations of Arbitrary Supramolecules. - Mayk C. Ramos; Patrick K. Quoika; Vitor A. C. Horta; Douglas Mota Dias; Elan G. Costa; Jorge Luís Machado do Amaral; Luigi M. Ribeiro; Klaus R. Liedl; Bruno A. C. Horta (J. Chem. Inf. Model., 2021)

Structural mechanism of Fab domain dissociation as a measure of interface stability. - Nancy D. Pomarici; Franz Waibl; Patrick K. Quoika; Alexander Bujotzek; Guy Georges; Monica L. Fernández-Quintero; Klaus R. Liedl (J. Comput. Aided Mol. Des., 2023)

Structure-Based Protein Assembly Simulations Including Various Binding Sites and Conformations. - Luis J. Walter; Patrick K. Quoika; Martin Zacharias (J. Chem. Inf. Model., 2024)