Pharmacoinformatics-based identification of anti-bacterial catalase-peroxidase enzyme inhibitors. - Chaitanya Sadashiv Jangam; Shovonlal Bhowmick; Rekha Dhondiram Chorge; Lomate Dhanraj Bharatrao; Pritee Chunarkar Patil; Rupesh V. Chikhale; Nora Abdullah AlFaris; Jozaa Zaidan ALTamimi; Saikh Mohammad Wabaidur; Md Ataul Islam (Comput. Biol. Chem., 2019)

De novo design based identification of potential HIV-1 integrase inhibitors: A pharmacoinformatics study. - Pooja Balasaheb Shinde; Shovonlal Bhowmick; Etidal Alfantoukh; Pritee Chunarkar Patil; Saikh Mohammad Wabaidur; Rupesh V. Chikhale; Md Ataul Islam (Comput. Biol. Chem., 2020)

Identification of bio-active food compounds as potential SARS-CoV-2 PLpro inhibitors-modulators via negative image-based screening and computational simulations. - Shovonlal Bhowmick; Nora Abdullah AlFaris; Jozaa Zaidan ALTamimi; Zeid A. ALOthman; Pritee Chunarkar Patil; Tahany Saleh Aldayel; Saikh Mohammad Wabaidur; Achintya Saha (Comput. Biol. Medicine, 2022)

Machine learning assisted methods for the identification of low toxicity inhibitors of Enoyl-Acyl Carrier Protein Reductase (InhA). - Rupesh V. Chikhale; Heba Taha M. Abdelghani; Hemchandra Deka; Atul Darasing Pawar; Pritee Chunarkar Patil; Shovonlal Bhowmick (Comput. Biol. Chem., 2024)

Identification of novel hit molecules targeting M. tuberculosis polyketide synthase 13 by combining generative AI and physics-based methods. - Rupesh V. Chikhale; Rinku Choudhary; Jagriti Malhotra; Gaber E. Eldesoky; Parth Mangal; Pritee Chunarkar Patil (Comput. Biol. Medicine, 2024)