{"title":"基于虚拟高通量筛选的高效药物设计研究","authors":"Haonan Zhou","doi":"10.1109/ISBP57705.2023.10061293","DOIUrl":null,"url":null,"abstract":"Drug screening is crucial in the entire pharmaceutical chain. There are about 3500W of known structural drug compound molecules in the world. The massive amount of data has led to an enormous screening task for a single protein target. Therefore, how accelerating the speed of high-throughput screening is an urgent problem. We combine the advantages of computer CPU multi-core for parallel optimization of D3DOCKxb to achieve accelerated drug screening.","PeriodicalId":309634,"journal":{"name":"2023 International Conference on Intelligent Supercomputing and BioPharma (ISBP)","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2023-01-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"High-efficiency drug design research based on virtual high-throughput screening\",\"authors\":\"Haonan Zhou\",\"doi\":\"10.1109/ISBP57705.2023.10061293\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Drug screening is crucial in the entire pharmaceutical chain. There are about 3500W of known structural drug compound molecules in the world. The massive amount of data has led to an enormous screening task for a single protein target. Therefore, how accelerating the speed of high-throughput screening is an urgent problem. We combine the advantages of computer CPU multi-core for parallel optimization of D3DOCKxb to achieve accelerated drug screening.\",\"PeriodicalId\":309634,\"journal\":{\"name\":\"2023 International Conference on Intelligent Supercomputing and BioPharma (ISBP)\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2023-01-06\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"2023 International Conference on Intelligent Supercomputing and BioPharma (ISBP)\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1109/ISBP57705.2023.10061293\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"2023 International Conference on Intelligent Supercomputing and BioPharma (ISBP)","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1109/ISBP57705.2023.10061293","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
High-efficiency drug design research based on virtual high-throughput screening
Drug screening is crucial in the entire pharmaceutical chain. There are about 3500W of known structural drug compound molecules in the world. The massive amount of data has led to an enormous screening task for a single protein target. Therefore, how accelerating the speed of high-throughput screening is an urgent problem. We combine the advantages of computer CPU multi-core for parallel optimization of D3DOCKxb to achieve accelerated drug screening.
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