Development of a virtual reality platform for effective communication of structural data in drug discovery
Development of a virtual reality platform for effective communication of structural data in drug discovery
复制标题
DOI：
10.1016/j.jmgm.2019.03.010
复制
发表时间：
2019-06-01
影响因子：
2.9
通讯作者：
Spraggon, Glen
中科院分区：
文献类型：
--
作者：
Kingsley, Laura J.;Brunet, Vincent;Spraggon, Glen
在药物发现中，靶点的结构知识使基于结构的设计方法成为可能，从而减少了开发治疗所需的时间和劳动力。虽然分子图形框架加上计算分析，现在无处不在的工具，结构和计算生物学家，共享详细的可视化和衍生的结构信息与非专家用户仍然提出了一个挑战。在这里，我们描述了一个直观的虚拟世界，用于在完全沉浸式和协作的3D环境中查看，操纵和修改化学和大分子结构。通过减少查看和与结构数据交互的障碍，结构分析可以民主化为普通科学家，这反过来又促进了结构生物学和基于结构的药物发现方面的新合作，想法和发现。(C)2019作者爱思唯尔公司出版
In drug discovery, structural knowledge of a target enables structure-based design approaches and thereby reduces the time and labor required to develop a therapy. Whilst molecular graphics frameworks coupled with computational analysis are now ubiquitous tools for the structural and computational biologist, sharing the detailed visualization and derived structural information with non-expert users still presents a challenge. Here we describe an intuitive virtual world for viewing, manipulating, and modifying chemical and macromolecular structures in a fully immersive and collaborative 3D environment. By reducing the barriers to viewing and interacting with structural data, structural analysis can be democratized to a general scientist, which in turn fosters novel collaboration, ideas, and findings in structural biology and structure-based drug discovery. (C) 2019 The Authors. Published by Elsevier Inc.