A charge equilibration formalism for treating charge transfer effects in MD simulations: Application to water clusters. - Sudipta Kumar Sinha; Mohit Mehta; Sandeep Patel (J. Comput. Chem., 2017)

Size-Dependent Conformational Features of Aβ17-42 Protofilaments from Molecular Simulation Studies. - Prabir Khatua; Sudipta Kumar Sinha; Sanjoy Bandyopadhyay (J. Chem. Inf. Model., 2017)