书目名称 | Current Trends in Computational Modeling for Drug Discovery | 编辑 | Supratik Kar,Jerzy Leszczynski | 视频video | http://file.papertrans.cn/242/241437/241437.mp4 | 概述 | Discusses fundamental tools, algorithms and methods of computational modeling.Presents applications of molecular modeling to drug design.Features contributions from leading experts in the field | 丛书名称 | Challenges and Advances in Computational Chemistry and Physics | 图书封面 |  | 描述 | This contributed volume offers a comprehensive discussion on how to design and discover pharmaceuticals using computational modeling techniques. The different chapters deal with the classical and most advanced techniques, theories, protocols, databases, and tools employed in computer-aided drug design (CADD) covering diverse therapeutic classes. Multiple components of Structure-Based Drug Discovery (SBDD) along with its workflow and associated challenges are presented while potential leads for Alzheimer’s disease (AD), antiviral agents, anti-human immunodeficiency virus (HIV) drugs, and leads for Severe Fever with Thrombocytopenia Syndrome Virus (SFTSV) disease are discussed in detail. Computational toxicological aspects in drug design and discovery, screening adverse effects, and existing or future in silico tools are highlighted, while a novel in silico tool, RASAR, which can be a major technique for small to big datasets when not much experimental data are present, is presented. The book also introduces the reader to the major drug databases covering drug molecules, chemicals, therapeutic targets, metabolomics, and peptides, which are great resources for drug discovery employing | 出版日期 | Book 2023 | 关键词 | Drug design and discovery; QSAR Model; Computational Chemistry; Medicinal Chemistry; Computational Biolo | 版次 | 1 | doi | https://doi.org/10.1007/978-3-031-33871-7 | isbn_softcover | 978-3-031-33873-1 | isbn_ebook | 978-3-031-33871-7Series ISSN 2542-4491 Series E-ISSN 2542-4483 | issn_series | 2542-4491 | copyright | The Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Nature Switzerl |
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