CEITEC - Central European Institute of Technology, Masaryk University, Kamenice 753/5, 625 00 Brno, Czech Republic.
Regional Centre of Advanced Technologies and Materials, Department of Physical Chemistry, Faculty of Science, Palacký University Olomouc, Šlechtitelů 241/27, 779 00 Olomouc, Czech Republic.
Acta Crystallogr D Struct Biol. 2020 Dec 1;76(Pt 12):1167-1173. doi: 10.1107/S2059798320014515. Epub 2020 Nov 26.
Biomacromolecular structural data make up a vital and crucial scientific resource that has grown not only in terms of its amount but also in its size and complexity. Furthermore, these data are accompanied by large and increasing amounts of experimental data. Additionally, the macromolecular data are enriched with value-added annotations describing their biological, physicochemical and structural properties. Today, the scientific community requires fast and fully interactive web visualization to exploit this complex structural information. This article provides a survey of the available cutting-edge web services that address this challenge. Specifically, it focuses on data-delivery problems, discusses the visualization of a single structure, including experimental data and annotations, and concludes with a focus on the results of molecular-dynamics simulations and the visualization of structural ensembles.
生物大分子结构数据是一个至关重要的科学资源,其不仅在数量上有所增加,而且在规模和复杂性上也有所增加。此外,这些数据还伴随着大量不断增加的实验数据。此外,大分子数据还具有丰富的增值注释,描述了它们的生物学、物理化学和结构特性。如今,科学界需要快速、完全交互式的网络可视化来利用这些复杂的结构信息。本文对现有的解决这一挑战的先进网络服务进行了调查。具体来说,它侧重于数据传递问题,讨论了单个结构的可视化,包括实验数据和注释,并以分子动力学模拟的结果和结构集合的可视化作为结论。