Interaction energy analysis between lectin and glycochain based on quantum mechanical calculation
Category
- Completed
- DICP Tool Prototype Trial for Integrated Database Analysis
- Projects funded in FY 2015
Name and affiliation of Research Director
NAKANO Shogo
Assistant Professor, School of Food and Nutritional Sciences, University of Shizuoka
Outline of R&D
Interaction energy between lectin and glycochain will be estimated by quantum mechanical calculation (QM). In addition, we try to develop algorithm to predict structural flexibility and affinity of lectin and various glycochain. PyMOL plugin supporting analysis for results of QM calculation will be developed to expand database of lectin and glycochain toward researchers who major in structural biology and computational chemistry. The results will be connected to other database, such as disease, medicine and environmental compounds.
Main database(s) subject to research and development
Period of research and development
May 2015 to March 2016
Documents
Presentation documents
- Kickoff Meeting (1.36 MB)
- Symposium of Database Togo (Integration) 2015 Poster presentation (1.5 MB)
- March 10, 2016: Final Report Meeting (3.0 MB)
