Taking two protein complexes , we performed md simulations on their candidate structures . according to the variations of the mean square deviation ( msd ) of the structures in md trajectories relative to the initial structures , the false structures can be excluded 以兩種蛋白質(zhì)復(fù)合物為例,對其候選結(jié)構(gòu)進(jìn)行md模擬,根據(jù)md軌跡中構(gòu)象相對于初始北京工業(yè)大學(xué)工學(xué)碩士學(xué)位論文摘要一構(gòu)象的平方平均偏差( msd )隨時間的變化來輔助打分函數(shù)排除錯誤構(gòu)象,得到了較好的結(jié)果。