PeerMD: A P2P Molecular Dynamics Simulation Framework Based on Web Services |
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基金项目: | Foundationitem: Supposed by the National Natural Science Foundation of China(30670421, 60773191). |
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摘 要: | PeerMD, a P2P molecular dynamics simulation frame-work based on Web services is proposed. It utilizes rich free CPU time and network bandwidth of P2P networks to provide enough resources for dynamics simulation of bio-macromolecule, and has resolved the problem that it is difficult to interoperate between heterogeneous peers in P2P environment through Web services. Structure of PeerMD is given. Function, input and output of molecular dynamics simulation Web service are defined. Processes of publishing, discovering and invoking of molecular dynamics simulation Web service based on multi-level SuperPeer are given. A protocol system of PeerMD is implemented on a basic P2P platform JXTA, and experimental simulations of tumor necrosis fact alpha (TNF-α) and two mutations of it are executed on the protocol system. Simulation results show that PeerMD can speed up molecular dynamics simulation perfectly.
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关 键 词: | P2P Web服务器 分子动力学 网络技术 |
PeerMD: A P2P molecular dynamics simulation framework based on Web services |
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Authors: | Baohua Huang Lin He Yang Bao Zhuoya Li Ruixuan Li |
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Institution: | [1]School of Basic Medical Sciences, Huazhong University of Science and Technology, Wuhan 430030, Hubei, China; [2]College of Computer Science and Technology, HuazhongUniversity of Science and Technology, Wuhan 430074, HubeiChina |
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Abstract: | PeerMD, a P2P molecular dynamics simulation framework based on Web services is proposed. It utilizes rich free CPU time and
network bandwidth of P2P networks to provide enough resources for dynamics simulation of bio-macromolecule, and has resolved
the problem that it is difficult to interoperate between heterogeneous peers in P2P environment through Web services. Structure
of PeerMD is given. Function, input and output of molecular dynamics simulation Web service are defined. Processes of publishing,
discovering and invoking of molecular dynamics simulation Web service based on multi-level SuperPeer are given. A protocol
system of PeerMD is implemented on a basic P2P platform JXTA, and experimental simulations of tumor necrosis fact alpha (TNF-α) and two mutations of it are executed on the protocol system. Simulation results show that PeerMD can speed up molecular
dynamics simulation perfectly.
Biography: HUANG Baohua (1973–), male, Post Doctor, research direction: bioinformatics, Peer-to-Peer computing, information security,
etc. |
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Keywords: | P2P Web services molecular dynamics |
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