Hydrophobin Film Structure for HFBI and HFBII and Mechanism for Accelerated Film Formation. - Aniket Magarkar; Nawel Mele; Noha Abdel-Rahman; Sarah A. Butcher; Mika Torkkeli; Ritva Serimaa; Arja Paananen; Markus Linder; Alex Bunker (PLoS Comput. Biol., 2014)

Rigorous Computational Study Reveals What Docking Overlooks: Double Trouble from Membrane Association in Protein Kinase C Modulators. - Saara Lautala; Riccardo Provenzani; Artturi Koivuniemi; Waldemar Kulig; Virpi Talman; Tomasz Róg; Raimo K. Tuominen; Jari Yli-Kauhaluoma; Alex Bunker (J. Chem. Inf. Model., 2020)

Combination of Molecular Dynamics Simulations and Machine Learning Reveals Structural Characteristics of Stereochemistry-Specific Interdigitation of Synthetic Monomycoloyl Glycerol Analogs. - Suvi Heinonen; Artturi Koivuniemi; Matthew Davies; Mikko Karttunen; Camilla Foged; Alex Bunker (J. Chem. Inf. Model., 2025)