Application of artificial neural networks and DFT-based parameters for prediction of reaction kinetics of ethylbenzene dehydrogenase. - Maciej Szaleniec; Malgorzata Witko; Ryszard Tadeusiewicz; Jakub Goclon (J. Comput. Aided Mol. Des., 2006)

Theoretical density functional theory studies on interactions of small biologically active molecules with isolated heme group. - Dorota Rutkowska-Zbik; Malgorzata Witko; Grazyna Stochel (J. Comput. Chem., 2007)

How to select an optimal neural model of chemical reactivity? - Maciej Szaleniec; Ryszard Tadeusiewicz; Malgorzata Witko (Neurocomputing, 2008)