| Budget Amount *help |
¥46,540,000 (Direct Cost: ¥35,800,000、Indirect Cost: ¥10,740,000)
Fiscal Year 2016: ¥8,190,000 (Direct Cost: ¥6,300,000、Indirect Cost: ¥1,890,000)
Fiscal Year 2015: ¥8,190,000 (Direct Cost: ¥6,300,000、Indirect Cost: ¥1,890,000)
Fiscal Year 2014: ¥8,190,000 (Direct Cost: ¥6,300,000、Indirect Cost: ¥1,890,000)
Fiscal Year 2013: ¥8,190,000 (Direct Cost: ¥6,300,000、Indirect Cost: ¥1,890,000)
Fiscal Year 2012: ¥13,780,000 (Direct Cost: ¥10,600,000、Indirect Cost: ¥3,180,000)
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| Outline of Final Research Achievements |
Several methodologies are developed to support computational drug discovery. In Theme-1, Sese et.al have developed the LAMP algorithm for correctly estimating statistical significance in combinatorial regulations, and apply the technique for identifying key genes in human breast cancer cells. In Theme-2, Akiyama et.al have developed MEGADOCK docking software for massively PPI docking study and built an archiving database for human protein interactions with tertiary docking structures. They also developed an ultra-fast compound pre-screening software called Spresso based on fragment-based docking, In Theme-3, Sekijima et.al have studied molecular dynamics techniques to obtain adequate protein structures for virtual screening. They evaluated the techniques in real drug discovery projects and revealed that open-form structures obtained by molecular dynamics and clustering perform much better than using the closed X-ray structures, in their virtual screening followed by wet experiments.
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