Identifying natural product inhibitors against CDK9 enzyme via combined multicomplex-based pharmacophore modeling, interaction studies and molecular dynamics simulations. - Amar Ghosh; Shreya Mukherjee; Prakash C. Jha; Anu Manhas (Comput. Biol. Medicine, 2023)

Integrating machine learning with in silico studies and Quantum Chemistry: Exploring novel compounds through multiscale screening targeting the CDK2 enzyme. - Priyanka Solanki; Sk. Abdul Amin; Anu Manhas (Comput. Biol. Medicine, 2025)