@article{halder2025-41326481,
  author  = {Halder, Debojyoti and Banerjee, Suvankar and Biswas, Swati and Adhikari, Nilanjan and Ghosh, Balaram},
  title   = {{Molecular modeling to simulation: insights into Gaussian QSAR, molecular docking, and DFT for identification of HDAC3 inhibitors for neurocognitive vascular dementia}},
  journal = {Scientific Reports},
  year    = {2025},
  doi     = {10.1038/s41598-025-28304-y},
  pmid    = {41326481},
  url     = {https://doi.org/10.1038/s41598-025-28304-y}
}