[1]徐胜超,周继鹏,吕峻闽.基于OpenStack云平台的蛋白质折叠模拟计算方法[J].计算机技术与发展,2025,(07):41-47.[doi:10.20165/j.cnki.ISSN1673-629X.2025.0040]
　XU Sheng-chao,ZHOU Ji-peng,LYU Jun-min.Protein Folding Simulation Computation Method Based on OpenStack Cloud Platform[J].,2025,(07):41-47.[doi:10.20165/j.cnki.ISSN1673-629X.2025.0040]
点击复制

基于OpenStack云平台的蛋白质折叠模拟计算方法()

《计算机技术与发展》[ISSN:1006-6977/CN:61-1281/TN]

卷:
期数:
2025年07期
页码:
41-47
栏目:
软件技术与工程
出版日期:
2025-07-10

文章信息/Info

Title:
Protein Folding Simulation Computation Method Based on OpenStack Cloud Platform
文章编号:
1673-629X(2025)07-0041-07
作者:
徐胜超1; 周继鹏2; 吕峻闽1
1. 广州华商学院 人工智能学院,广东 广州 511300;
2. 暨南大学 信息科学技术学院,广东 广州 511300
Author(s):
XU Sheng-chao1; ZHOU Ji-peng2; LYU Jun-min1
1. School of Artificial Intelligent,Guangzhou Huashang College,Guangzhou 511300,China;
2. School of Information Science and Technology,Jinan University,Guangzhou 511300,China
关键词:
云计算; 蛋白质折叠; 模拟计算; 格点模型; OpenStack集群
Keywords:
cloud computing; protein folding; simulation computing; lattice model; OpenStack cluster
分类号:
TP393.4
DOI:
10.20165/j.cnki.ISSN1673-629X.2025.0040
摘要:
在蛋白质科学研究领域,蛋白质折叠模拟计算的速度和准确性一直是研究的热点和难点。 为了有效提升蛋白质折叠模拟计算的效率,该文提出了一种基于 OpenStack 云平台的蛋白质折叠模拟计算方法。 该方法首先利用 HP 格点模型对蛋白质折叠过程进行简化,将复杂的氨基酸链抽象为黑球和白球的组合形式,从而降低了计算的复杂性。 在计算过程中,采用了一种改进的 PERM 算法来计算每个球的权重,该算法能够更准确地评估折叠过程中的能量体系。 此外,借助 OpenStack 云平台的强大计算能力,将氨基酸链的折叠计算任务分配到多个计算节点上并行处理,从而大大提高了计算速度。 每个计算节点都会返回其临时结果,最终这些结果会被汇总并输出为最终的折叠结果。 实验表明,该方法计算的能量与最低能量相符,计算时间明显优于 PERM 算法,其折叠结果与已有的最佳折叠情况一致,且计算时间更短,提高了蛋白质折叠模拟计算效率。
Abstract:
In the field of protein science,the speed and accuracy of protein folding simulation have always been the focus and difficulty.In order to effectively improve the efficiency of protein folding simulation calculation,we propose a protein folding simulation calculation method based on OpenStack cloud platform. The HP lattice model is used to simplify the protein folding process,and the complex amino acid chain is abstracted into a combination of black and white spheres,thus reducing the computational complexity. In the calculation process,an improved PERM algorithm is used to calculate the weight of each ball,which can evaluate the energy system in the folding process more accurately. In addition,with the powerful computing power of OpenStack cloud platform,the folding calculation task of amino acid chain is allocated to multiple computing nodes for parallel processing,which greatly improves the computing speed. Each compute node returns its temporary results,which are eventually summarized and output as the final fold result. Experiments show that the energy calculated by the proposed method is consistent with the minimum energy,and the calculation time is obviously better than that of the PERM algorithm. The folding result is consistent with the existing optimal folding situation,and the calculation time is shorter,which improves the simulation efficiency of protein folding.

相似文献/References:

[1]王茜,朱志祥,史晨昱,等.应用于数据库安全保护的加解密引擎系统[J].计算机技术与发展,2014,24(01):143.
　WANG Qian[],ZHU Zhi-xiang[],SHI Chen-yu[],et al.Encryption and Decryption Engine System Applying to Database Security and Detection[J].,2014,24(07):143.
[2]陈丹伟 黄秀丽 任勋益.云计算及安全分析[J].计算机技术与发展,2010,(02):99.
　CHEN Dan-wei,HUANG Xiu-li,REN Xun-yi.Analysis of Cloud Computing and Cloud Security[J].,2010,(07):99.
[3]孙放 陈云芳 林杭锋.适用于富客户端的云计算模型[J].计算机技术与发展,2010,(08):96.
　SUN Fang,CHEN Yun-fang,LIN Hang-feng.Cloud Computing Model Applicable to Rich Client Applications[J].,2010,(07):96.
[4]郭苑 张顺颐 孙雁飞.物联网关键技术及有待解决的问题研究[J].计算机技术与发展,2010,(11):180.
　GUO Yuan,ZHANG Shun-yi,SUN Yan-fei.Research of Key Technologies and Unresolved Questions of Internet of Things[J].,2010,(07):180.
[5]李玲娟 张敏.云计算环境下关联规则挖掘算法的研究[J].计算机技术与发展,2011,(02):43.
　LI Ling-juan,ZHANG Min.Research on Algorithms of Mining Association Rule under Cloud Computing Environment[J].,2011,(07):43.
[6]王德政 申山宏 周宁宁.云计算环境下的数据存储[J].计算机技术与发展,2011,(04):81.
　WANG De-zheng,SHEN Shan-hong,ZHOU Ning-ning.Data Storage in Cloud Computing Environment[J].,2011,(07):81.
[7]宋丽华 姜家轩 张建成 田长录 马文征.黄河三角洲云计算平台关键技术的研究[J].计算机技术与发展,2011,(06):40.
　SONG Li-hua,JIANG Jia-xuan,ZHANG Jian-cheng,et al.Research of Key Technologies of Cloud Computing of Yellow River Delta[J].,2011,(07):40.
[8]田宏伟 解福 倪俊敏.云计算环境下基于粒子群算法的资源分配策略[J].计算机技术与发展,2011,(12):22.
　TIAN Hong-wei,XIE Fu,NI Jun-min.Resource Allocation Algorithm Based on Particle Swarm Algorithm in Cloud Computing Environment[J].,2011,(07):22.
[9]张慧 邢培振.云计算环境下信息安全分析[J].计算机技术与发展,2011,(12):164.
　ZHANG Hui,XING Pei-zhen.Information Security Analysis in Cloud Computing Environment[J].,2011,(07):164.
[10]张建成[] 宋丽华[] 鹿全礼[] 郭锐[] 刘永泉[].云计算方案分析研究[J].计算机技术与发展,2012,(01):165.
　ZHANG Jian-cheng,SONG Li-hua,LU Quan-li,et al.Study and Analysis of Cloud Computing Procedure[J].,2012,(07):165.

更新日期/Last Update: 2025-07-10