NC Research

We focus on answering the bottleneck questions of organic and bioorganic chemistry events such as prediction of the reaction pathways, understanding of the enzyme functionalities and design of new enzymes with altered and improved properties using novel computational methods. Our current research topics include the development of new environmentally friendly catalysts for use in the synthesis of complex bioactive molecules of medical importance, getting an insight into the effect of mutations occurred by natural evolution on enzyme functionality and selectivity, identification of the non-selective enzyme activities and their improvement, understanding the origins and principles of the selectivity in multifunctional catalysts, development of new computational approaches to determine and design effective catalytic structures.