Enhanced sampling simulations of DNA step parameters. - Aleksandra Karolak; Arjan van der Vaart (J. Comput. Chem., 2014)

Molecular Dynamics Simulations of Membrane-Bound STIM1 to Investigate Conformational Changes during STIM1 Activation upon Calcium Release. - Sreya Mukherjee; Aleksandra Karolak; Marjolaine Debant; Paul Buscaglia; Yves Renaudineau; Olivier Mignen; Wayne C. Guida; Wesley H. Brooks (J. Chem. Inf. Model., 2017)

Morphophenotypic classification of tumor organoids as an indicator of drug exposure and penetration potential. - Aleksandra Karolak; Sharan Poonja; Katarzyna A. Rejniak (PLoS Comput. Biol., 2019)

CancerKG.ORG - A Web-scale, Interactive, Verifiable Knowledge Graph-LLM Hybrid for Assisting with Optimal Cancer Treatment and Care. - Michael N. Gubanov; Anna Pyayt; Aleksandra Karolak (CIKM, 2024)