书目名称 | High Performance Computing for Drug Discovery and Biomedicine | 编辑 | Alexander Heifetz | 视频video | | 概述 | Includes cutting-edge techniques.Provides step-by-step detail essential for reproducible results.Contains key implementation advice from the experts | 丛书名称 | Methods in Molecular Biology | 图书封面 |  | 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 | 关键词 | HPC; Computational drug discovery (CDD); In silico biomedicine; Drug design; Precision medicine; Personal | 版次 | 1 | doi | https://doi.org/10.1007/978-1-0716-3449-3 | isbn_softcover | 978-1-0716-3451-6 | isbn_ebook | 978-1-0716-3449-3Series ISSN 1064-3745 Series E-ISSN 1940-6029 | issn_series | 1064-3745 | copyright | The Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Science+Busines |
The information of publication is updating
|
|