Molecular docking and molecular dynamics simulations of fumarate hydratase and its mutant H235N complexed with pyromellitic acid and citrate. - S. Subasri; Santosh Kumar Chaudhary; Kanagaraj Sekar; Manish Kesherwani; Devadasan Velmurugan (J. Bioinform. Comput. Biol., 2017)

Conformational Dynamics of thiM Riboswitch To Understand the Gene Regulation Mechanism Using Markov State Modeling and the Residual Fluctuation Network Approach. - Manish Kesherwani; Kutumbarao N. H. V; Devadasan Velmurugan (J. Chem. Inf. Model., 2018)