Correcting electrostatic artifacts due to net-charge changes in the calculation of ligand binding free energies. - Christoph Öhlknecht; Bettina Lier; Drazen Petrov; Julian Fuchs; Chris Oostenbrink (J. Comput. Chem., 2020)

Efficient In Silico Saturation Mutagenesis of a Member of the Caspase Protease Family. - Christoph Öhlknecht; Sonja Katz; Christina Kröß; Bernhard Sprenger; Petra Engele; Rainer Schneider; Chris Oostenbrink (J. Chem. Inf. Model., 2021)

Insights into the Binding Mode of Lipid A to the Anti-lipopolysaccharide Factor ALFPm3 from Penaeus monodon: An In Silico Study through MD Simulations. - Cristina González Fernández; Christoph Öhlknecht; Matthias Diem; Yerko Escalona; Eugenio Bringas; Gabriel Moncalián; Chris Oostenbrink; Inmaculada Ortiz (J. Chem. Inf. Model., 2023)