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GridMACS Portal: A Grid Web Portal for Molecular Dynamics Simulation Using GROMACS
Found in: Asia International Conference on Modelling & Simulation
By Elizabeth Chia, Mohd Shahir Shamsir, Zeti Azura Hussein, Siti Zaiton Mohd Hashim
Issue Date:May 2010
pp. 507-512
We developed GridMACS, a grid-enabled web portal with the aim of providing GUI for GROMACS and running a molecular dynamics simulation in a grid environment. The portal is developed according to the basic grid system architecture by integrating the main gr...
Improving Molecular Dynamics Simulation Performance on Low-Cost Systems
Found in: Computing in Science & Engineering
By Teong Han Chew,Kwee Hong Joyce-Tan,Zeti Azura Mohamed Hussein,Pek Iee Elizabeth-Chia,Mohd Shahir Shamsir
Issue Date:May 2013
pp. 64-70
For simulation-based work, researchers often have limited hardware capacities and budgets, so they create a low-cost parallel computing platform using PCs and commodity hardware, assembled and configured as a Beowulf-class computing cluster. Here, an astut...
Unravelling Prion Diseases Using Molecular Dynamics Simulations
Found in: Asia International Conference on Modelling & Simulation
By Mohd Shahir Shamsir, Zeti Azura Hussein, Johan Sharif
Issue Date:May 2008
pp. 895-900
Human prion diseases such as Creutzfeldt–Jakob disease are neurodegenerative diseases and present as infectious, sporadic and genetic disorders. Association of bovine spongiform encephalopathy (BSE) or ‘madcow disease’ with human variant Creutzfeldt–Jakob ...
Distributed Computing Jobs Scheduling Improvement Using Simulated Annealing Optimizer
Found in: Computer Modeling and Simulation, International Conference on
By Zafril Rizal M. Azmi, Kamalrulnizam Abu Bakar, Abdul Hanan Abdullah, Mohd Shahir Shamsir
Issue Date:March 2009
pp. 461-467
Over the past decade, scheduling in distributed computing system has been an active research. However, it is still difficult to find an optimal scheduling algorithm to achieve load balancing for a specific scientific application which is executed in an unp...