Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules. - Callum J. Dickson; Viktor Hornak; Dallas Bednarczyk; José S. Duca (J. Chem. Inf. Model., 2019)

Revealing Molecular Determinants of hERG Blocker and Activator Binding. - Callum J. Dickson; Camilo Velez-Vega; José S. Duca (J. Chem. Inf. Model., 2020)

Relative Binding Free-Energy Calculations at Lipid-Exposed Sites: Deciphering Hot Spots. - Callum J. Dickson; Viktor Hornak; José S. Duca (J. Chem. Inf. Model., 2021)

Leveraging Advanced In Silico Techniques in Early Drug Discovery: A Study of Potent Small-Molecule YAP-TEAD PPI Disruptors. - Ernest Awoonor-Williams; Callum J. Dickson; Pascal Furet; Andrei A. Golosov; Viktor Hornak (J. Chem. Inf. Model., 2023)

Reactivities of acrylamide warheads toward cysteine targets: a QM/ML approach to covalent inhibitor design. - Aaron D. Danilack; Callum J. Dickson; Cihan Soylu; Mike Fortunato; Stephane Rodde; Hagen Münkler; Viktor Hornak; José S. Duca (J. Comput. Aided Mol. Des., 2024)