Exploration of potential inhibitors for tuberculosis via structure-based drug design, molecular docking, and molecular dynamics simulation studies. - Sreerama Rajasekhar; Ramanathan Karuppasamy; Kaushik Chanda (J. Comput. Chem., 2021)

Identification of novel inhibitors for Prp protein of Mycobacterium tuberculosis by structure based drug design, and molecular dynamics simulations. - Sreerama Rajasekhar; Soumyadip Das; Ramanathan Karuppasamy; Balamurali Musuvathi Motilal; Kaushik Chanda (J. Comput. Chem., 2022)