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2014 Fiscal Year Final Research Report

HIGH ACCURACY PREDICTION OF DRUG-PROTEIN INTERACTION; LINEAR EXPRESSION BY REPRESENTATIVE ENERGY TERMS

Research Project

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Project/Area Number 24590051
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Physical pharmacy
Research InstitutionThe University of Tokushima

Principal Investigator

CHUMAN Hiroshi  徳島大学, 大学院ヘルスバイオサイエンス研究部, 教授 (20304545)

Co-Investigator(Renkei-kenkyūsha) YOSHIDA Tatsusada  徳島大学, 大学院ヘルスバイオサイエンス研究部, 助教 (80527557)
Project Period (FY) 2012-04-01 – 2015-03-31
Keywords創薬理論計算化学
Outline of Final Research Achievements

We have proposed a novel procedure called the Linear Expression by Representative Energy terms (LERE), and further developed LERE by modifying the dispersion, hydration, entropic energy, and other terms. We applied a novel quantitative structure activity relationship combined with the LERE procedure to several cases of ligands-protein interaction system in order to demonstrate the validity of the LERE procedure. As a result, we confirmed that the procedure provides valuable information which cannot be obtained with any other methods and approaches.

Free Research Field

医歯薬学

URL: 

Published: 2016-06-03  

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