| 书目名称 | Multiscale Modeling of Complex Molecular Structure and Dynamics with MBN Explorer | | 编辑 | Ilia A. Solov’yov,Andrey V. Korol,Andrey V. Solov’ | | 视频video | | | 概述 | Authored by the package developers.Contains numerous detailed case-studies.Contains extensive software tutorial.Includes supplementary material: | | 图书封面 |  | | 描述 | .This book introduces readers to MesoBioNano (MBN) Explorer – a multi-purpose software package designed to model molecular systems at various levels of size and complexity. In addition, it presents a specially designed multi-task toolkit and interface – the MBN Studio – which enables the set-up of input files, controls the simulations, and supports the subsequent visualization and analysis of the results obtained. The book subsequently provides a systematic description of the capabilities of this universal and powerful software package within the framework of computational molecular science, and guides readers through its applications in numerous areas of research in bio- and chemical physics and material science – ranging from the nano- to the mesoscale...MBN Explorer is particularly suited to computing the system’s energy, to optimizing molecular structure, and to exploring the various facets of molecular and random walk dynamics. The package allows the use of a broadvariety of interatomic potentials and can, e.g., be configured to select any subset of a molecular system as rigid fragments, whenever a significant reduction in the number of dynamical degrees of freedom is required | | 出版日期 | Book 2017 | | 关键词 | Computational Molecular Science; Computer Simulations for Nanomaterials; MBN Explorer Case Studies; MBN | | 版次 | 1 | | doi | https://doi.org/10.1007/978-3-319-56087-8 | | isbn_softcover | 978-3-319-85822-7 | | isbn_ebook | 978-3-319-56087-8 | | copyright | Springer International Publishing AG 2017 |
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发表于 2025-3-21 19:31:46
