Molecular dynamics simulation and linear interaction energy study of d-Glu-based inhibitors of the MurD ligase. - Andrej Perdih; Gerhard Wolber; Tomaz Solmajer (J. Comput. Aided Mol. Des., 2013)

Cluster-based molecular docking study for in silico identification of novel 6-fluoroquinolones as potential inhibitors against mycobacterium tuberculosis. - Nikola Minovski; Andrej Perdih; Marjana Novic; Tomaz Solmajer (J. Comput. Chem., 2013)

Inhibitor Design Strategy Based on an Enzyme Structural Flexibility: A Case of Bacterial MurD Ligase. - Andrej Perdih; Martina Hrast; Hélène Barreteau; Stanislav Gobec; Gerhard Wolber; Tomaz Solmajer (J. Chem. Inf. Model., 2014)

Furan-based benzene mono- and dicarboxylic acid derivatives as multiple inhibitors of the bacterial Mur ligases (MurC-MurF): experimental and computational characterization. - Andrej Perdih; Martina Hrast; Kaja Pureber; Hélène Barreteau; Simona Golic Grdadolnik; Darko Kocjan; Stanislav Gobec; Tomaz Solmajer; Gerhard Wolber (J. Comput. Aided Mol. Des., 2015)

A Multilingual Evaluation Dataset for Monolingual Word Sense Alignment. - Sina Ahmadi; John Philip McCrae; Sanni Nimb; Anas Fahad Khan; Monica Monachini; Bolette S. Pedersen; Thierry Declerck; Tanja Wissik; Andrea Bellandi; Irene Pisani; Thomas Troelsgård; Sussi Olsen; et al. (LREC, 2020)

Substituted 4, 5′-Bithiazoles as Catalytic Inhibitors of Human DNA Topoisomerase IIα. - Kaja Bergant Loboda; Matej Janezic; Martina Stampar; Bojana Zegura; Metka Filipic; Andrej Perdih (J. Chem. Inf. Model., 2020)

All-Atom Simulations Reveal a Key Interaction Network in the HLA-E/NKG2A/CD94 Immune Complex Fine-Tuned by the Nonameric Peptide. - Eva Prasnikar; Andrej Perdih; Jure Borisek (J. Chem. Inf. Model., 2021)

Catalytic Mechanism of ATP Hydrolysis in the ATPase Domain of Human DNA Topoisomerase IIα. - Mitja Ogrizek; Matej Janezic; Katja Valjavec; Andrej Perdih (J. Chem. Inf. Model., 2022)

All-Atom Simulations Reveal the Intricacies of Signal Transduction upon Binding of the HLA-E Ligand to the Transmembrane Inhibitory CD94/NKG2A Receptor. - Martin Ljubic; Eva Prasnikar; Andrej Perdih; Jure Borisek (J. Chem. Inf. Model., 2023)

Machine learning heralding a new development phase in molecular dynamics simulations. - Eva Prasnikar; Martin Ljubic; Andrej Perdih; Jure Borisek (Artif. Intell. Rev., 2024)

All-Atom Simulations Reveal the Effect of Membrane Composition on the Signaling of the NKG2A/CD94/HLA-E Immune Receptor Complex. - Martin Ljubic; Andrej Perdih; Jure Borisek (J. Chem. Inf. Model., 2024)