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Titlebook: High Performance Computing for Drug Discovery and Biomedicine; Alexander Heifetz Book 2024 The Editor(s) (if applicable) and The Author(s)

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發(fā)表于 2025-3-21 17:38:38 | 只看該作者 |倒序瀏覽 |閱讀模式
書目名稱High Performance Computing for Drug Discovery and Biomedicine
編輯Alexander Heifetz
視頻videohttp://file.papertrans.cn/427/426347/426347.mp4
概述Includes cutting-edge techniques.Provides step-by-step detail essential for reproducible results.Contains key implementation advice from the experts
叢書名稱Methods in Molecular Biology
圖書封面Titlebook: High Performance Computing for Drug Discovery and Biomedicine;  Alexander Heifetz Book 2024 The Editor(s) (if applicable) and The Author(s)
描述This volume explores the application of high-performance computing (HPC) technologies to computational drug discovery (CDD) and biomedicine. The first section collects CDD approaches that, together with HPC, can revolutionize and automate drug discovery process, such as knowledge graphs, natural language processing (NLP), Bayesian optimization, automated virtual screening platforms, alchemical free energy workflows, fragment-molecular orbitals (FMO), HPC-adapted molecular dynamic simulation (MD-HPC), and the potential of cloud computing for drug discovery. The second section delves into computational algorithms and workflows for biomedicine, featuring an HPC framework to assess drug-induced arrhythmic risk, digital patient applications relevant to the clinic, virtual human simulations, cellular and whole-body blood flow modeling for stroke treatments, prediction of the femoral bone strength from CT data, and many more subjects. Written?for the highly successful?.Methods inMolecular Biology?.series, chapters include introductions to their respective topics, lists of the necessary software and tools, step-by-step and readily reproducible modeling protocols, and tips on troubleshootin
出版日期Book 2024
關(guān)鍵詞HPC; Computational drug discovery (CDD); In silico biomedicine; Drug design; Precision medicine; Personal
版次1
doihttps://doi.org/10.1007/978-1-0716-3449-3
isbn_softcover978-1-0716-3451-6
isbn_ebook978-1-0716-3449-3Series ISSN 1064-3745 Series E-ISSN 1940-6029
issn_series 1064-3745
copyrightThe Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Science+Busines
The information of publication is updating

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1064-3745 expertsThis volume explores the application of high-performance computing (HPC) technologies to computational drug discovery (CDD) and biomedicine. The first section collects CDD approaches that, together with HPC, can revolutionize and automate drug discovery process, such as knowledge graphs, nat
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