A Drug Discovery Program Development Based on Solvent Dipole Ordering
Project/Area Number |
19790032
|
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
|
Project Status |
Completed (Fiscal Year 2009)
|
Budget Amount *help |
¥3,560,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2009: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2008: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2007: ¥2,000,000 (Direct Cost: ¥2,000,000)
|
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.
|
Report
(4 results)
Research Products
(2 results)