Probing Interaction Requirements in PTP1B Inhibitors: A Comparative Molecular Dynamics Study. - Rajendra Kumar 003; Ranajit Nivrutti Shinde; Dara Ajay; Masilamani Elizabeth Sobhia (J. Chem. Inf. Model., 2010)

g_mmpbsa - A GROMACS Tool for High-Throughput MM-PBSA Calculations. - Rashmi Kumari; Rajendra Kumar 003; Andrew M. Lynn (J. Chem. Inf. Model., 2014)

do_x3dna: a tool to analyze structural fluctuations of dsDNA or dsRNA from molecular dynamics simulations. - Rajendra Kumar 003; Helmut Grubmüller (Bioinform., 2015)