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Scientific interests:

• quantum-chemical calculations on the mechanism of reactions, tautomerism, quantum-chemical study of interactions referring to the monomer units of DNA and RNA
• modeling of chemical processes, molecular modeling, 
• elaboration  and identification of  biologically active compounds, interpretation of the mechanism of their action at the molecular level, identification of the products of drug metabolism

Selected papers:

1. Markova, N., Pejov, L., Stoyanova, N., Enchev, V..
   Hybrid MC/QC simulations of water-assisted proton transfer in nucleosides. Guanosine and its analogue acyclovir.
   Journal of Biomolecular Structure and Dynamics, 35, 6, 2017, 1168-1188. ISI IF:3.107
2. Stoyanova, N., Rangelov, M., Genova-Kalou, P., Enchev, V., Markova, N
   Binging expedient of phenolic acids from the plant Graptopetalum paraguayense E. Walter to viral DNA polymerase amino acids: a theoretical insight.
   Reports awarded with “Best paper” Crystal Prize, 58^th Annual scientific conference of University of Ruse and Union of Scientists, New Industries, Digital Economy, Society- Projections of the Future II, 2019