2009 Fiscal Year Final Research Report
A Drug Discovery Program Development Based on Solvent Dipole Ordering
Project/Area Number |
19790032
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Research Category |
Grant-in-Aid for Young Scientists (B)
|
Allocation Type | Single-year Grants |
Research Field |
Physical pharmacy
|
Research Institution | Kyoto University |
Principal Investigator |
MURATA Katsumi Kyoto University, 薬学研究科, 助教 (80372556)
|
Project Period (FY) |
2007 – 2009
|
Keywords | 計算化学 / 生物物理 / 創薬 |
Research Abstract |
We developed a drug discovery program based on solvent dipole ordering. This program was applied to virtual screening of ligands for four typical drug target proteins and the performance compared with that of FRED (well-known rigid docking method); the efficiency of our program was demonstrated to be better than FRED.
|
Research Products
(1 results)