Dynamic conformational ensembles regulate casein kinase-1 isoforms: Insights from molecular dynamics and molecular docking studies. - Surya Pratap Singh; Dwijendra K. Gupta (Comput. Biol. Chem., 2016)

Discovery of potential inhibitor against human acetylcholinesterase: a molecular docking and molecular dynamics investigation. - Surya Pratap Singh; Dwijendra K. Gupta (Comput. Biol. Chem., 2017)