C. Kumar Choudhury, Kumar, A., and Roy, S., ?Characterization of conformation and interaction of gene delivery vector polyethylenimine with phospholipid bilayer at different protonation state?, Biomacromolecules, vol. 14, no. 10, pp. 3759-3768, 2013.

M.  More, Pahari, S., Roy, S., and Venkatnathan, A., ?Characterization of the structures and dynamics of phosphoric acid doped benzimidazole mixtures: a molecular dynamics study?, Journal of Molecular Modeling, vol. 19, no. 1, pp. 109-118, 2013.

M.  Kumar, Patil, N. G., Choudhury, C. Kumar, Roy, S., Ambade, A. V., and Kumaraswamy, G., ?Compact polar moieties induce lipid-water systems to form discontinuous reverse micellar phase?, Soft Matter, vol. 11, no. 27, pp. 5417-5424, 2015.

N.  Choudhary, Chakrabarty, S., Roy, S., and Kumar, R., ?Comparison of different water models for melting point calculation of methane hydrate using molecular dynamics simulations?, Chemical Physics, vol. 516, pp. 6-14, 2019.