Converging ligand-binding free energies obtained with free-energy perturbations at the quantum mechanical level. - Martin A. Olsson; Pär Söderhjelm; Ulf Ryde (J. Comput. Chem., 2016)

Binding free energies in the SAMPL5 octa-acid host-guest challenge calculated with DFT-D3 and CCSD(T). - Octav Caldararu; Martin A. Olsson; Christoph Riplinger; Frank Neese; Ulf Ryde (J. Comput. Aided Mol. Des., 2017)

Binding free energies in the SAMPL6 octa-acid host-guest challenge calculated with MM and QM methods. - Octav Caldararu; Martin A. Olsson; Majda Misini Ignjatovic; Meiting Wang; Ulf Ryde (J. Comput. Aided Mol. Des., 2018)

Binding affinities of the farnesoid X receptor in the D3R Grand Challenge 2 estimated by free-energy perturbation and docking. - Martin A. Olsson; Alfonso T. García-Sosa; Ulf Ryde (J. Comput. Aided Mol. Des., 2018)