Brief description of the research
Kristina Milisavljević studies the structure and reactivity of bioactive compounds using computational chemistry methods. Her work includes molecular docking and molecular dynamics simulations to assess the inhibitory potential of newly synthesized derivatives.
By analyzing the electronic and structural parameters of compounds, he examines the factors that influence their stability, reactivity and possible biological activity. Using modern computational tools, he contributes to the prediction of the binding modes of molecules to target proteins, which represents a significant step in the identification of new therapeutic candidates.
Research interests include rational drug design, computational profiling of bioactive molecules, and the development of modern in silico approaches in drug discovery.
Selected references
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