蛋白质构象搜索的蝙蝠算法

2019 First International Conference of Intelligent Computing and Engineering (ICOICE) Pub Date : 2019-12-01 DOI:10.1109/ICOICE48418.2019.9035182

H. Bahamish, Naziha Al-Aidroos, Aziz Nasser Boraik

{"title":"蛋白质构象搜索的蝙蝠算法","authors":"H. Bahamish, Naziha Al-Aidroos, Aziz Nasser Boraik","doi":"10.1109/ICOICE48418.2019.9035182","DOIUrl":null,"url":null,"abstract":"Determining the lowest protein free energy conformation (protein structure) is consider NP-hard problem. In this paper, the bat algorithm was applied to the protein conformational search problem. It utilized torsion angles protein representation, ECEPP energy function, and bats behavior to explore the protein conformational search space. Met-enkephalin a small protein used normally as a benchmark of protein conformational search algorithms was used to test the algorithm. Computational experiments showed that the applied algorithm found the reported lowest energy (-12.91 kcal/mol) conformation for ECEPP/2 and (-12.43 kcal/mol) conformation for ECEPP/3.","PeriodicalId":109414,"journal":{"name":"2019 First International Conference of Intelligent Computing and Engineering (ICOICE)","volume":"54 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2019-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":"{\"title\":\"Bat Algorithm for Protein Conformational Search\",\"authors\":\"H. Bahamish, Naziha Al-Aidroos, Aziz Nasser Boraik\",\"doi\":\"10.1109/ICOICE48418.2019.9035182\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Determining the lowest protein free energy conformation (protein structure) is consider NP-hard problem. In this paper, the bat algorithm was applied to the protein conformational search problem. It utilized torsion angles protein representation, ECEPP energy function, and bats behavior to explore the protein conformational search space. Met-enkephalin a small protein used normally as a benchmark of protein conformational search algorithms was used to test the algorithm. Computational experiments showed that the applied algorithm found the reported lowest energy (-12.91 kcal/mol) conformation for ECEPP/2 and (-12.43 kcal/mol) conformation for ECEPP/3.\",\"PeriodicalId\":109414,\"journal\":{\"name\":\"2019 First International Conference of Intelligent Computing and Engineering (ICOICE)\",\"volume\":\"54 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2019-12-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"1\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"2019 First International Conference of Intelligent Computing and Engineering (ICOICE)\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1109/ICOICE48418.2019.9035182\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"2019 First International Conference of Intelligent Computing and Engineering (ICOICE)","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1109/ICOICE48418.2019.9035182","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}

引用次数: 1

摘要

确定蛋白质的最低自由能构象(蛋白质结构)被认为是np难题。本文将蝙蝠算法应用于蛋白质构象搜索问题。利用扭转角蛋白表示、ECEPP能量函数和蝙蝠行为来探索蛋白质构象搜索空间。用通常用作蛋白质构象搜索算法基准的小蛋白脑啡肽(Met-enkephalin)来测试该算法。计算实验表明，应用算法得到了ECEPP/2和ECEPP/3的最低能量构象(-12.91 kcal/mol)和-12.43 kcal/mol。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

查看原文本刊更多论文

Bat Algorithm for Protein Conformational Search

Determining the lowest protein free energy conformation (protein structure) is consider NP-hard problem. In this paper, the bat algorithm was applied to the protein conformational search problem. It utilized torsion angles protein representation, ECEPP energy function, and bats behavior to explore the protein conformational search space. Met-enkephalin a small protein used normally as a benchmark of protein conformational search algorithms was used to test the algorithm. Computational experiments showed that the applied algorithm found the reported lowest energy (-12.91 kcal/mol) conformation for ECEPP/2 and (-12.43 kcal/mol) conformation for ECEPP/3.

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

来源期刊

2019 First International Conference of Intelligent Computing and Engineering (ICOICE)

自引率

0.00%

发文量