中文摘要：

PeerMD，一个 P2P 分子的动力学模拟框架基于万维网服务被建议。为简历大分子的动力学模拟提供足够的资源利用富有的免费中央处理器时间和 P2P 网络的网络带宽，并且解决了通过万维网服务在 P2P 环境在异构的同伴之间互操作是困难的问题。PeerMD 的结构被给。分子的动力学模拟万维网服务的功能，输入和输出被定义。基于多水平 SuperPeer 的分子的动力学模拟万维网服务出版，发现并且调用的过程被给。PeerMD 的一个协议系统在肿瘤坏死事实高山的基本 P2P 站台 JXTA，和试验性的模拟上被实现哈(TNF-α) 并且它的二个变化在协议系统上被执行。模拟结果证明 PeerMD 能完美地加快分子的动力学模拟。

英文摘要：

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.