Density functional and molecular docking studies towards investigating the role of single-wall carbon nanotubes as nanocarrier for loading and delivery of pyrazinamide antitubercular drug onto pncA protein. - Nabanita Saikia; Sanchaita Rajkhowa; Ramesh C. Deka (J. Comput. Aided Mol. Des., 2013)

Unveiling potential repurposed drug candidates for Plasmodium falciparum through in silico evaluation: A synergy of structure-based approaches, structure prediction, and molecular dynamics simulations. - Abhichandan Das; Sanchaita Rajkhowa; Subrata Sinha; Magdi E. A. Zaki (Comput. Biol. Chem., 2024)

BRAIN-SCN-PRO: A machine learning model for the classification of brain tumors using a convolutional neural network architecture. - Subrata Sinha; Saurav Mali; Amit Kumar Pathak; Sanchaita Rajkhowa (Biomed. Signal Process. Control., 2025)

Targeting PARP14: An in silico framework for identifying novel Competitive inhibitors via 3D-QSAR pharmacophore modeling and molecular dynamics. - Manisha Agarwal; Sanchaita Rajkhowa; Magdi E. A. Zaki; Subrata Sinha (Comput. Biol. Medicine, 2025)