Cloud computing model and implementation of molecular dynamics simulation using Amber and Gromacs
Ari Wibisono, Heru Seok Suhartanto · International Conference on Advanced Computer Science and Information Systems · 2012
Molecular dynamics simulation is a simulation modeling of proteins and some chemical compounds in the pharmaceutical field. Molecular dynamics simulations are used as a way for drug discovery. This paper is going to propose about cloud computing model of molecular dynamics simulations using Amber and Gromacs. Cloud computing applications can be used as a bridge between molecular dynamics applications running on parallel computing and a multiplatform client, so that end-users can use the applications of molecular dynamics simulations easily.