@ARTICLE{
author={Al-Otaibi Jamelah S,Mary Y Sheena,Beegum Shargina,Bhagyasree JB,Armakovic Stevan,Armakovic Sanja J,Van Alsenoy Christian,Gamberini Maria Cristina},
year={2026},
title={Computational investigation of hydrogen abstraction and aqueous interaction of thyroxine: a combined DFT and molecular dynamics study},
journal={CHEMICAL PAPERS},
volume={},
number={},
pages={-},
document_type={Article; Early Access},
} 

@ARTICLE{
author={Mary Sheena Y,Mary Shyma Y,Armakovic Stevan,Armakovic Sanja J,Kratky Martin,Vinsova Jarmila,Baraldi Cecilia,Gamberini Maria Cristina},
year={2021},
title={Concentration and solvent dependent SERS, DFT, MD simulations and molecular docking studies of a thioxothiazolidine derivative with antimicrobial properties},
journal={JOURNAL OF MOLECULAR LIQUIDS},
volume={329},
number={},
pages={-},
document_type={Article},
}