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Maria Milletti, Ph.D.

Dr. Milletti 503A Mark Jefferson Science Complex


[email protected]


Ph.D., University of Wisconsin

Inorganic Chemistry

Interests and Expertise

My general area of research is the study of the electronic structure and reactivity of molecules using density functional theory.  We use molecular modeling methods to examine a wide variety of systems, from small organic compounds to organometallic complexes to the active sites of proteins.  My research group usually includes several undergraduate students and the occasional graduate student. Most of the undergraduate students start their independent projects in their sophomore year.


Deborah L. Heyl, Brandon Iwaniec, Daniel Esckilsen, Deanna Price, Prathyusha Guttikonda, Jennifer Cooper, Julia Lombardi, Maria Milletti, and Hedeel Guy Evans 'Using Small Peptide Segments of Amyloid-β and Humanin to Examine their Physical Interactions.' Protein and Peptide Letters, 2019,  26 (7), 502-511.

Hector Figueroa, Durgaprasad Peddi, Joshua Osborne, Brenan Wilson, Ranadheer Pesaru, Balakrishna Kurva, Swathi Ramaraju, Maria C. Milletti, Deborah Heyl ‘Modeling the interface between islet amyloid polypeptide and insulin-based aggregation inhibitors:  Correlation to aggregation kinetics and membrane damage’ Journal of Chemical Information and Modeling, 2012, 52, 1298-1307.

Andrew J. Livingston, Harriet A. Lindsay, and Maria Clelia Milletti, ‘A density functional study of the relative stability of intermediates in a McMurry coupling reaction’ J. Coo. Chem., 2012, 65, 1484-1492.

Claire E. Tornow, Betsy Lau, Maria C. Milletti, ‘Thermodynamic and Kinetic Aspects of the Lipid Peroxidation of Arachidonic Acid’ Letters in Drug Design and Discovery, 2011, 8, 390-400.

Deborah L. Heyl,Joshua M. Osborne,  Sarika Pamarthy, Shyamprasad Samisetti, Andrew W. Gray, Anitha Jayaprakash, Srikanth Konda, Dorothy J. Brown,  Samuel R. Miller, Reza Eizadkhah, Maria C. Milletti, ‘Liposome Damage and Modeling of Fragments of Human Islet Amyloid Polypeptide (IAPP) Support a Two-Step Model of Membrane Destruction" International Journal of Peptide Research and Therapeutics, 2010, 16, 43-54.

Mark A. Lukowski, Dae Jin Choi and M.C. Milletti Substrate Binding and Kinetic Aspects of the Peroxidation Reaction of Four Polyunsaturated Fatty Acids in the COX Active Site of PGHS-1’ Letters in Drug Design and Discovery, 2010, 7, 88-97.

Mark Lukowski, Kathryn Jacobs, Powen Hsueh, Harriet A. Lindsay and M.C. Milletti ‘Thermodynamic and kinetic factors in the aza-Cope rearrangement of a series of iminium cations’ Tetrahedron 2009 , 65, 10311-10316.



Professional Affiliations

American Chemical Society
American Association for the Advancement of Science
Council on Undergraduate Research

Courses Taught

General Chemistry(121-126)
Advanced Inorganic Chemistry(432)
Quantum Chemistry(561)

The Department of Chemistry is part of the College of Arts & Sciences, 214 Pray-Harrold