[1]He Gaoqi,Gong Bojie,Chen Cheng,et al.VR + Pharmacophore: an Interactive and Visual Virtual Screening System[J].Journal of Zhengzhou University (Engineering Science),2018,39(05):28-32.[doi:10.13705/j.issn.1671-6833.2018.05.001]
Copy
Journal of Zhengzhou University (Engineering Science)[ISSN
1671-6833/CN
41-1339/T] Volume:
39卷
Number of periods:
2018 05
Page number:
28-32
Column:
Public date:
2018-08-21
- Title:
-
VR + Pharmacophore: an Interactive and Visual Virtual Screening System
- Author(s):
-
He Gaoqi1; Gong Bojie2; Chen Cheng2; Yu Mingqiang2; Lu Xingjian3; Li Honglin4
-
1. Department of Computer Science and Engineering, East China University of Science and Technology, Shanghai 200237; 2. Shanghai Key Laboratory of New Drug Design, Shanghai 200237; 3. Department of Computer Science and Engineering, East China University of Science and Technology, Shanghai, 200237; 4. Smart City Collaborative Innovation Center, Shanghai Jiaotong University, Shanghai 200240
-
- Keywords:
-
Virtual Reality; Unity3D; Pharmacophore; Virtual Screening; Human-Computer Interaction
- CLC:
-
-
- DOI:
-
10.13705/j.issn.1671-6833.2018.05.001
- Abstract:
-
Pharmscophore-based virtual screening technology had higher accuracy rate, faster calculation speed and lower research cost than traditional screening technology. However, the microscopic and struectural complexity of the molecule posed a challenge to the user’s spatial perception and data analysis capabilities. In this paper, the virtual reality and pharmacophore computing technologywere combined design to interactive visual virtual screening system based on Unity 3D engine and HTC Vive device. The main functions of the system included molecular analysis and rendering, pharmacophore calculation, visual interaction.based on HTC Vice. Experiments showed that the interactive visual virtual screening system proposed in this paper could bring a new perspective for the design of pharmacophor and enhance the interaction experience of drug design researchers.