A biologically-inspired evaluation of molecular generative machine learning. - Elizaveta Vinogradova; Abay Artykbayev; Alisher Amanatay; Mukhamejan Karatayev; Maxim Mametkulov; Albina Li; Anuar Suleimenov; Abylay Salimzhanov; Karina Pats; Rustam Zhumagambetov; Ferdinand Molnár; Vsevolod Peshkov; et al. (CoRR, 2022)

MLT-LE: predicting drug-target binding affinity with multi-task residual neural networks. - Elizaveta Vinogradova; Karina Pats; Ferdinand Molnár; Siamac Fazli (CoRR, 2022)

GEODES: Geometric Descriptors for the Assessment of Global and Local Flexibility of Proteins During Molecular Dynamics Simulation. - Karina Pats; Igor Glukhov; Stepan Petrosian; Maria Mamaeva; Alexey A. Sergushichev; Marie-Dominique Devignes; Ferdinand Molnár (IEEE Access, 2025)