方向依存的蛋白質モデリング力場の更なる発展と応用

在2014财年，我们将OSCAR力场应用于蛋白质诱饵的选择。在采用相同方法改进的诱饵中，奥斯卡力场在选择对原结构RMSD（均方根偏差）较低的诱饵时效果较好。OSCAR力场在蛋白质诱饵选择中的高性能增强了我们将力场应用于蛋白质设计的信心。到目前为止，虽然2014财年没有，但我们已经发表了三篇论文，达到了我们的最低出版目标。然而，我们并没有按计划完成所有的研究工作。特别是由于我与大阪大学的工作合同于2014年10月结束，而Kakenhi计划在2012年4月至2015年3月期间进行，所以我们没有完成并计算测试基于OSCAR力场的蛋白质界面设计程序。我于2014年10月底离开日本，并将剩余资金全部上交。

In 2014 fiscal year, we applied the OSCAR force fields for protein decoy selection. Among decoys refined with the same procedure, the OSCAR-force fields are good in selecting the one with a low RMSD (root mean square deviation) to the native structure. The high performance of OSCAR force fields in protein decoy selection boost our confidence to apply the force fields for protein design.So far, although there has been none in FY2014, we published three papers supported by this grant achieving our minimum goal in publication. However, we did not finish all of research work as planned. Especially, we did not finish and computationally test the protein interface design program based on the OSCAR force fields because my work contract with Osaka University ended in Oct 2014 and the Kakenhi was planned for the time period between April 2012 and March 2015. I left Japan at the end of October 2014 and turned in all of remaining fund.