| 書目名稱 | Optimization-based Molecular Dynamics Studies of SARS-CoV-2 Molecular Structures |
| 副標題 | Research on COVID- 1 |
| 編輯 | Jiapu Zhang |
| 視頻video | http://file.papertrans.cn/704/703328/703328.mp4 |
| 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 |
| 叢書名稱 | Springer Series in Biophysics |
| 圖書封面 |  |
| 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 |
| 關鍵詞 | 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 |
|Archiver|手機版|小黑屋|
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