文献类型：会议论文

英文题名：ARDock: A Web-AR Based Real-Time Tangible Edugame for Molecular Docking

作者：He, Gaoqi[1,2];Sun, Fei[1];Hu, Dong[1];Lu, Xingjian[1];Guo, Yi[1];Lai, Shuhua[3];Pan, Zhigeng[4]

机构：[1]East China Univ Sci & Technol, Dept Comp Sci & Engn, Shanghai 200237, Peoples R China;[2]Beihang Univ, State Key Lab Virtual Real Technol & Syst, Beijing 100191, Peoples R China;[3]Georgia Gwinnett Coll, Sch Sci & Technol, Lawrenceville, GA 30043 USA;[4]Hangzhou Normal Univ, Digital Media & Interact Res Ctr, Hangzhou 310036, Zhejiang, Peoples R China

会议论文集：10th International Conference on E-Learning and Games (Edutainment)

会议日期：APR 14-16, 2016

会议地点：Hangzhou Normal Univ, Hangzhou, PEOPLES R CHINA

主办单位：Hangzhou Normal Univ

语种：英文

外文关键词：Augmented reality; Molecular docking; Real-time communication; Edugame; Interactivity

摘要：Molecular docking is increasingly considered as a key tool for lead discovery of structure-based drug design. While huge ligand-receptor combinations, intangible microcosmic molecular world and complex docking scoring are the major challenges for modern molecular docking. In this paper, we present an edugame called ARDock, which is a web-based and interactive molecular docking game. The web-based feature allows multiple participants to engage in the game and provides solutions to complex scientific problems. Augmented reality is imported and consequently molecular docking process becomes tangible. The relative positions of two molecules are instantly updated with the users' operation, enabling the spatial locating capabilities of humans. The optimized scoring function is proposed to reduce the computation complexity, and the message-oriented middleware facilitates real-time communication between the browsers and the server. The overall framework and detailed designs are illustrated. Some combination strategies make this edugame more interesting, which in return can attract more users and enhance their continuous participation. Sufficient user evaluations validate the usability of this game. This work is a step to promote the popularization of molecular docking knowledge.