Majda Misini Ignjatović

Interplay between Conformational Entropy and Solvation Entropy in Protein–Ligand Binding

Maria Luisa Verteramo, Olof Stenström, Majda Misini Ignjatović et al. · Journal of the American Chemical Society · 2019 · 132 citations · Full text

Binding-affinity predictions of HSP90 in the D3R Grand Challenge 2015 with docking, MM/GBSA, QM/MM, and free-energy simulations

Majda Misini Ignjatović, Octav Caldararu, Geng Dong et al. · Journal of Computer-Aided Molecular Design · 2016 · 49 citations · Full text

Entropy–Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C

Johan Wallerstein, Vilhelm Ekberg, Majda Misini Ignjatović et al. · JACS Au · 2021 · 48 citations · Full text

Binding free energies in the SAMPL6 octa-acid host–guest challenge calculated with MM and QM methods

Octav Caldararu, Martin Olsson, Majda Misini Ignjatović et al. · Journal of Computer-Aided Molecular Design · 2018 · 31 citations · Full text

Structure and Energetics of Ligand–Fluorine Interactions with Galectin‐3 Backbone and Side‐Chain Amides: Insight into Solvation Effects and Multipolar Interactions

Rohit Kumar, Majda Misini Ignjatović, Kristoffer Peterson et al. · ChemMedChem · 2019 · 26 citations · Full text