Interaction energy analysis between lectin and glycochain based on quantum mechanical calculation


  • Completed
  • DICP Tool Prototype Trial for Integrated Database Analysis
  • Projects funded in FY 2015

Name and affiliation of Research Director


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

DocumentsOnly in Japanese

Presentation documents


EvaluationOnly in Japanese

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