Free energy calculations offer insights into the influence of receptor flexibility on ligand-receptor binding affinities. - Jozica Dolenc; Sereina Riniker; Roberto Gaspari; Xavier Daura; Wilfred F. van Gunsteren (J. Comput. Aided Mol. Des., 2011)

Assessment of enveloping distribution sampling to calculate relative free enthalpies of binding for eight netropsin-DNA duplex complexes in aqueous solution. - Niels Hansen; Jozica Dolenc; Matthias Knecht; Sereina Riniker; Wilfred F. van Gunsteren (J. Comput. Chem., 2012)

Conformational Properties of the Chemotherapeutic Drug Analogue Epothilone A: How to Model a Flexible Protein Ligand Using Scarcely Available Experimental Data. - Jozica Dolenc; Wilfred F. van Gunsteren; Andrea E. Prota; Michel O. Steinmetz; John H. Missimer (J. Chem. Inf. Model., 2019)

Backbone N-Amination Promotes the Folding of β-Hairpin Peptides via a Network of Hydrogen Bonds. - Jozica Dolenc; Esme J. Haywood; Tingting Zhu; Lorna J. Smith (J. Chem. Inf. Model., 2022)

Explainable machine learning for predicting shellfish toxicity in the Adriatic Sea using long-term monitoring data of HABs. - Martin Marzidovsek; Janja Francé; Vid Podpecan; Stanka Vadnjal; Jozica Dolenc; Patricija Mozetic (CoRR, 2024)