Title :
Cloud computing model and implementation of molecular dynamics simulation using Amber and Gromacs
Author :
Wibisono, A. ; Suhartanto, Heru
Author_Institution :
Fac. of Comput. Sci., Univ. Indonesia, Depok, Indonesia
Abstract :
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.
Keywords :
chemistry computing; cloud computing; digital simulation; drugs; molecular dynamics method; multiprocessing systems; parallel processing; pharmaceutical industry; Amber; Gromacs; chemical compounds simulation modeling; cloud computing model; drug discovery; molecular dynamics simulation; multiplatform client; parallel computing; pharmaceutical field; proteins simulation modeling; Cloud computing; Computational modeling; Dynamics; Manuals; Proteins; Solvents; Web servers;
Conference_Titel :
Advanced Computer Science and Information Systems (ICACSIS), 2012 International Conference on
Conference_Location :
Depok
Print_ISBN :
978-1-4673-3026-8