Binding-affinity predictions of HSP90 in the D3R Grand Challenge 2015 with docking, MM/GBSA, QM/MM, and free-energy simulations. - Majda Misini Ignjatovic; Octav Caldararu; Geng Dong; Camila Muñoz-Gutiérrez; Francisco Adasme-Carreño; Ulf Ryde (J. Comput. Aided Mol. Des., 2016)

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)

Can MM/GBSA calculations be sped up by system truncation? - Majda Misini Ignjatovic; Paulius Mikulskis; Pär Söderhjelm; Ulf Ryde (J. Comput. Chem., 2018)