K. I.  Shivakumar, Swathi, K., Goudappagouda,, Das, T. C., Kumar, A., Makde, R. D., Vanka, K., Narayan, K. S., Babu, S. Santhosh, and Sanjayan, G. J., ?Mixed-stack charge transfer crystals of pillar[5]quinone and tetrathiafulvalene exhibiting ferroelectric features?, Chemistry- A European Journal , vol. 23, no. 51, 2017.

N. K.  Gaur, Goyal, V. Durani, Kulkarni, K., and Makde, R. D., ?Machine learning classifiers aid virtual screening for efficient design of mini-protein therapeutics?, Bioorganic & Medicinal Chemistry Letters, vol. 38, p. 127852, 2021.

N. K.  Gaur, Ghosh, B., Goyal, V. Durani, Kulkarni, K., and Makde, R. D., ?Evolutionary conservation of protein dynamics: insights from all-atom molecular dynamics simulations of `peptidase' domain of Spt16?, Journal of Biomolecular Structure and Dynamics, vol. 41, no. 4, pp. 1445-1457, 2023.

N. Kailash Gaur, Urankar, S., Sengupta, D., V. Chepuri, R., Makde, R. D., and Kulkarni, K., ?Cell based assay using virus-like particles to screen AM type mimics for SARS-CoV-2 neutralisation?, BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS, vol. 718, p. 150082, 2024.

N. K.  Gaur, Khakerwala, Z., and Makde, R. D., ?Design of human ACE2 mimic miniprotein binders that interact with RBD of SARS-CoV-2 variants of concerns?, Journal of Biomolecular Structure & Dynamics, 2024.