CoMFA, CoMSIA, Topomer CoMFA, HQSAR, molecular docking and molecular dynamics simulations study of triazine morpholino derivatives as mTOR inhibitors for the treatment of breast cancer. - Dhara M. Chhatbar; Udit J. Chaube; Vivek K. Vyas; Hardik G. Bhatt (Comput. Biol. Chem., 2019)

Integrated structure-guided computational design of novel substituted quinolizin-4-ones as Plasmodium falciparum dihydroorotate dehydrogenase (PfDHODH) inhibitors. - Vivek K. Vyas; Tanvi Shukla; Kartik Tulsian; Manmohan Sharma; Shivani Patel (Comput. Biol. Chem., 2022)

Structure-guided computational design of novel polycyclic aromatic compounds as telomerase inhibitors for the treatment of cancer. - Rajdeep Dey; Bhumika Patel; Vivek K. Vyas; Nandan Y. Dixit; Saumya Patel; Hardik G. Bhatt (Netw. Model. Anal. Health Informatics Bioinform., 2025)