DFT-based QSAR and QSPR models of several cis-platinum complexes: solvent effect. - Pubalee Sarmah; Ramesh C. Deka (J. Comput. Aided Mol. Des., 2009)

Adsorption of CO on oxygen preadsorbed neutral and charged gas phase Pd4 clusters: A density functional study. - Bulumoni Kalita; Ramesh C. Deka (J. Comput. Chem., 2010)

Ab initio study on the noncovalent adsorption of camptothecin anticancer drug onto graphene, defect modified graphene and graphene oxide. - Nabanita Saikia; Ramesh C. Deka (J. Comput. Aided Mol. Des., 2013)

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)