@ARTICLE{
author={Potla Krishna Murthy,Nuthalapati Poojith,Mohan Jahnavi Thokala Sasi,Osorio Francisco AP,Valverde Clodoaldo,Vankayalapati Suneetha,Adimule Suchetan Parameshwar,Armakovic Sanja J,Armakovic Stevan,Mary Y Sheena},
year={2024},
title={Multifaceted Study of a Y-Shaped Pyrimidine Compound: Assessing Structural Properties, Docking Interactions, and Third-Order Nonlinear Optics},
journal={ACS OMEGA},
volume={9},
number={7},
pages={7424-7438},
document_type={Article},
} 

@ARTICLE{
author={Mary Y Sheena,Mary Y Shyma,Armakovic Stevan,Armakovic Sanja J,Yadav Rohitash,Celik Ismail,Razavi Razieh},
year={2022},
title={Investigation of reactive properties, adsorption on fullerene, DFT, molecular dynamics simulation of an anthracene derivative targeting dihydrofolate reductase and human dUTPase},
journal={JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS},
volume={40},
number={21},
pages={10952-10961},
document_type={Article},
} 

@ARTICLE{
author={S Al-Otaibi Jamelah,Mary Y Sheena,Mary Y Shyma,Armakovic Sanja J,Armakovic Stevan,Van Alsenoy Christian,Yathirajan HS},
year={2022},
title={Insights into the reactivity properties, docking, DFT and MD simulations of orphenadrinium dihydrogen citrate in different solvents},
journal={JOURNAL OF MOLECULAR LIQUIDS},
volume={367},
number={},
pages={-},
document_type={Article},
}