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.