Identification of novel inhibitors of SARS-CoV-2 main protease (Mpro) from Withania sp. by molecular docking and molecular dynamics simulation. - Surjeet Verma; Chirag N. Patel; Muktesh Chandra (J. Comput. Chem., 2021)

The drug discovery candidate for targeting PARP1 with Onosma. Dichroantha compounds in triple-negative breast cancer: A virtual screening and molecular dynamic simulation. - Mohamed J. Saadh; Hanan Hassan Ahmed; Radhwan Abdul Kareem; Muktesh Chandra; Lokesh Verma; G. V. Siva Prasad; Anurag Mishra; Waam Mohammed Taher; Mariem Alwan; Mahmood Jasem Jawad; Atheer Khdyair Hamad (Comput. Biol. Chem., 2025)

A systematic review on revolutionizing veterinary drug discovery: harnessing omics data to combat complex diseases in domestic animals. - Himanshu Avashthi; Ulavappa B. Angadi; Sayanti Guha Majumdar; Jyotika Bhati; Dev Bukhsh Singh; Muktesh Chandra; Jaikee Kumar Singh; Akesh Sinha; Sejal Shah; Dwijesh Chandra Mishra (Netw. Model. Anal. Health Informatics Bioinform., 2025)