B. Halder, A. Mitra, S. Dewangan, R. Gazi, N. Sarkar, M. Jana, and S. Chatterjee,"Solid state synthesis of bispyridyl-ferrocene conjugates with unusual site selective 1,4-Michael addition, as potential inhibitor and electrochemical probe for fibrillation in amyloidogenic protein", Journal of Molecular Structure, vol.1273, no.134362, Elsevier, February 2023, 10.1016/j.molstruc.2022.134362       Article

S. Dhurua and M. Jana,"Understanding Conformational Properties and Role of Hydrogen Bonds in Glycosaminoglycans-Interleukin8 Complexes in Aqueous Medium by Molecular Dynamics Simulation", ChemPhysChem, vol.24, no.4, Willey, February 2023, 10.1002/cphc.202200440       Article

R. Gazi, S. Maity, and M. Jana,"Conformational Features and Hydration Dynamics of Proteins in Cosolvents: A Perspective from Computational Approaches", ACS Omega, vol.8, pp.2832–2843, ACS, January 2023, https://doi.org/10.1021/acsomega.2c08009       Article

S. Nudrat, P. Giri, D., K. Kumari, S. Quraishi, M. Jana, K. Aguan, and A.,"Analysis of the Binding Mechanism of Bioactive Coumarins with Ovalbumin: Further Investigation into the Inhibitory Effects toward Protein Fibrillation", ACS Food Sci. Technol., vol.3, pp.866–880, ACS, April 2023, https://doi.org/10.1021/acsfoodscitech.3c00055       Article

S. Dhurua and M. Jana,"Sulfation Effects of Chondroitin Sulfate to Bind a Chemokine in Aqueous Medium: Conformational Heterogeneity and Dynamics from Molecular Simulation", Journal of Chemical Information and Modeling, vol.63, pp.5660, ACS, August 2023, https://doi.org/10.1021/acs.jcim.3c00668       Article

S. Santra and M. Jana,"Conformational Flexibilities and Solvation Properties of Insulin in Aromatic Amino Acid Solutions: A Molecular Dynamics Study Using CHARMM Drude Polarizable Model.", J. Comput. Biophys. Chem, vol.21, pp.391-404, World Scientific 2022, 10.1142/S2737416521420011       Article

S. Sarmah, S. Dhurua, V., S. Lyndem, M. Jana, and A. Roy,"Combined spectroscopic and computational approaches for the recognition of bioactive flavonoid 6-hydroxyflavone by human serum albumin: Effects of non-enzymatic glycation in the binding.", Journal of Molecular Liquids, vol.346, pp.118288, Elsevier 2022, 10.1016/j.molliq.2021.118288       Article

R. Parida, S. Pahari, and M. Jana,"Potency of New Boron-Based Heterocyclic Anion Receptor Additives to Regulate the Solvation and Transport Properties of Li-ions in Ethylene Carbonate Electrolyte of Li-Ion Battery: An Atomistic Molecular Dynamics Study", J. Power Sources, vol.521, pp.230962, Elsevier 2022, 10.1016/j.jpowsour.2021.230962       Article

S. Santra and M. Jana,"Predicting the evolution of number of native contacts of a small protein by using deep learning approach.", Comput. Biol. Chem., vol.97, pp.107625, Elsevier 2022, 10.1016/j.compbiolchem.2022.107625       Article

S. Santra and M. Jana,"Influence of Aqueous Arginine Solution on Regulating Conformational Stability and Hydration Properties of the Secondary Structural Segments of a Protein at Elevated Temperatures: A Molecular Dynamics Study", J. Phys. Chem. B, vol.126, pp.1462-1476, American Chemical Society 2022, 10.1021/acs.jpcb.1c09583       Article