| 书目名称 | Optimization-based Molecular Dynamics Studies of SARS-CoV-2 Molecular Structures | | 副标题 | Research on COVID- 1 | | 编辑 | Jiapu Zhang | | 视频video | | | 概述 | Includes numerous color figures and tables for easy and reliable comprehension of the contents.Introduces reproducible Optimization, Molecular Dynamics and Biological Mathematics Modeling skills.Syste | | 丛书名称 | Springer Series in Biophysics | | 图书封面 |  | | 描述 | .COVID-19 has brought us extensive research databases in the fields of biophysics, biology, and bioinformatics. To extract valuable structural bioinformatic information of SARS-CoV-2 structural and nonstructural proteins, it is necessary to work with large-scale datasets of molecular dynamics (MD) trajectories that need to be optimized..This monograph serves as a comprehensive guide to optimization-based MD studies of the molecular structures of SARS-CoV-2 proteins and RNA. The book begins by performing local optimization, taking into account the three-body movement and optimizing the noncovalent bonds of each molecular structure. The optimized structures reach a transition state that offers the best stability and lowest energy. The optimization process utilizes a hybrid strategy that combines mathematical optimization with various local search algorithms. This approach significantly reduces data volume while eliminating irrelevant bioinformatics data..To gain a thoroughunderstanding of molecular stability and the mechanism of action, it is essential to consider not only static NMR, X-ray, or cryo-EM structures but also dynamic information obtained through MD or Quantum Mechanics/M | | 出版日期 | Book 2023 | | 关键词 | Molecular dynamics; Protein structure; COVID; Bioinformatics; computational biochemistry; computational b | | 版次 | 1 | | doi | https://doi.org/10.1007/978-3-031-36773-1 | | isbn_softcover | 978-3-031-36775-5 | | isbn_ebook | 978-3-031-36773-1Series ISSN 0932-2353 Series E-ISSN 1868-2561 | | issn_series | 0932-2353 | | copyright | The Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Nature Switzerl |
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发表于 2025-3-21 18:01:52
