Enabling Large-Scale Biomolecular Conformation Search with Replica Exchange Statistical Temperature Molecular Dynamics (RESTMD) over HPC and Cloud Computing Resources.
Nayong KimRichard PlataniaWei HuangChris KnightTom KeyesSeung-Jong ParkJoohyun KimPublished in: AINA Workshops (2015)
Keyphrases
- high performance computing
- computing resources
- molecular dynamics
- cloud computing
- virtual machine
- computing infrastructure
- cloud services
- grid computing
- data center
- limited resources
- resource management
- fault tolerance
- protein folding
- load balance
- parallel computing
- peer to peer
- computing systems
- distributed computing
- protein structure
- molecular dynamics simulations