All Publications

D. Paul, S. Santra, and M. Jana,"Interactions between CD44 and HA16: an investigation on multiple binding modes of the complex by using molecular dynamics simulation studies", Journal of Indian Chemical Society, vol.96, pp.851-861, Indian Chemical Society 2019       Article

S. Das, S. Pahari, S. Sarmah, M. A. Rohman, D. Paul, M. Jana, and A. S. Roy,"Lysozyme–luteolin binding: molecular insights into the complexation process and the inhibitory effects of luteolin towards protein modification", Physical Chemistry Chemical Physics, vol.21, no.23, pp.12649-12666, Royal Society of Chemistry, May 2019, 10.1039/C9CP01128E       Article

R. Parida, G. N. Reddy, A. Chakraborty, S. Giri, and M. Jana,"A new class of superhalogen based anion receptor in Li-ion battery electrolytes", Journal of Chemical Information and Modeling, vol.59, no.5, pp.2159-2164, American Chemical Society, February 2019, 10.1021/acs.jcim.9b00035       Article

A. Chakraborty, G. N. Reddy, M. Jana, and S. Giri,"[8] Cyclo-1, 4-naphthylene: a possible new member in hole transport family", Chemical Physics Letters, vol.715, pp.153-159, Elsevier, January 2019, 10.1016/j.cplett.2018.11.008       Article

D. Mohanta and M. Jana,"Can 2,2,2-trifluoroethanol be an efficient protein denaturant than methanol and ethanol under thermal stress?", Physical Chemistry Chemical Physics, vol.20, no.15, pp.9886-9896, Royal Society of Chemistry, March 2018, 10.1039/C8CP01222A       Article

D. Mohanta and M. Jana,"Effects of ethanol on the secondary structure specific hydration properties of chymotrypsin Inhibitor 2 in its folded and unfolded forms", Molecular Simulation, Taylor & Francis, July 2018, 10.1080/08927022.2018.1496246       Article

S. Santra, T. Kundu, and M. Jana,"Microscopic investigation on empirical force-field model dependent structure and dynamical properties of amino acids in aqueous medium", Journal of Indian Chemical Society, vol.95, pp.1617-1630, Scientific Publisher 2018       Article

S. Das, S. Santra, M. A. Rohman, M. Ray, M. Jana, and A. Roy,"An insight into the binding of 6-hydroxyflavone with hen egg white lysozyme: a combined approach of multi-spectroscopic and computational studies", Journal of Biomolecular Structure and Dynamics, Taylor & Francis, December 2018, 10.1080/07391102.2018.1535451       Article

S. Biswas, S. Santra, S. Yesylevskyy, J. Maiti, M. Jana, and R. Das,"Picosecond solvation dynamics in nanoconfinement : Role of water and host-guest complexation", The Journal of Physical Chemistry B, vol.122, no.14, pp.3996-4005, American Chemical Society, March 2018, 10.1021/acs.jpcb.7b10376       Article

S. Giri, R. Inostroza, and M. Jana,"The beckmann rearrangement in the framework of reaction electronic flux", Theoretical Chemistry Accounts, vol.136, no.1, pp.9, Springer, January 2017, 10.1007/s00214-016-2025-3       Article