BioBlender：基于Blender游戏引擎的蛋白质全原子变形
BioBlender: Fast and Efficient All Atom Morphing of Proteins Using Blender Game Engine
摘要：
在这篇文章和相关的文章“BioBlender：一个软件直观地表示生物分子的表面特性”，（安德烈等人），我们提出BioBlender作为一个完整的工具，用于阐述运动（在这里）和可视化（安德烈等人）的蛋白质和其他大分子，使用计算机图形仪器。大量的蛋白质（如果不是大多数的话）通过某种程度的运动来发挥它们的功能。尽管近年来在高性能方法方面取得了进展，但很难获得分子构象变化的直接信息。然而，有几种系统可以揭示单个肽链构象的可变性;其中，NMR方法提供了移动蛋白质的许多静态“镜头”的集合。从这些数据出发，并假设如果一个蛋白质存在于一个以上的构象，它必须能够在不同的状态之间转换，我们已经制定了一个系统，充分利用了3D计算机图形技术的计算能力。考虑到所有（重）原子的信息，我们使用Blender的动画和游戏引擎来获得过渡态。我们选择的模型来阐述我们的系统是钙调素，由于其结构和小尺寸的（相对）简单的结构和动态研究中最喜欢的蛋白质。使用钙调蛋白，我们展示了一个程序，使一个“导航图”的NMR模型的建设，可以帮助识别的运动。在这个过程中，产生了许多中间构象，所有这些都符合严格的生物物理和生物化学标准。BioBlender系统可从网站www.bioblender.net下载，以及示例，教程和其他有用的材料。
英文摘要：
In this and the associated article 'BioBlender: A Software for Intuitive Representation of Surface Properties of Biomolecules', (Andrei et al) we present BioBlender as a complete instrument for the elaboration of motion (here) and the visualization (Andrei et al) of proteins and other macromolecules, using instruments of computer graphics. A vast number of protein (if not most) exert their function through some extent of motion. Despite recent advances in higly performant methods, it is very difficult to obtain direct information on conformational changes of molecules. However, several systems exist that can shed some light on the variability of conformations of a single peptide chain; among them, NMR methods provide collections of a number of static 'shots' of a moving protein. Starting from this data, and assuming that if a protein exists in more than 1 conformation it must be able to transit between the different states, we have elaborated a system that makes ample use of the computational power of 3D computer graphics technology. Considering information of all (heavy) atoms, we use animation and game engine of Blender to obtain transition states. The model we chose to elaborate our system is Calmodulin, a protein favorite among structural and dynamic studies due to its (relative) simplicity of structure and small dimension. Using Calmodulin we show a procedure that enables the building of a 'navigation map' of NMR models, that can help in the identification of movements. In the process, a number of intermediate conformations is generated, all of which respond to strict bio-physical and bio-chemical criteria. The BioBlender system is available for download from the website www.bioblender.net, together with examples, tutorial and other useful material.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
