结果同源模建与实验结果相一致。
Result The outcome of computer homogeneity modeling was in accord with our experimental results.
主要包括同源模建、分子对接、分子动力学等的研究。
The main contents include homology modeling, molecular docking, molecular dynamics simulation.
同源模建；分子对接；拉伸分子动力学；抑制剂；选择性。
Homology modeling; molecular docking; Steered molecular dynamics; Inhibitor; Selectivity.
结论同源模建是一种高效寻找具有保护性的抗原多肽的经济快速的方法。
Conclusions the computer homogeneity modeling is an economic mean by which the protective peptide can be found out quickly.
方法用计算机同源模建预测多肽的抗原性，然后用淋巴细胞转化试验验证其抗原性。
Methods the antigenicity of the synthetic peptide were predicted by the computer modeling, then verified by lymphocyte transformation test.
利用同源模建的方法，借助分子力学优化、分子动力学模拟退火设计构建了删除部分氨基酸序列的蓖麻毒素A链突变体（MRTA）。
Using homology method, mutant ricin toxin A-chain(MRTA) deleting part of amino acid sequence was modeled by molecular mechanics optimization and molecular dynamics simulated annealing.
表皮生长因子受体的三维结构通过同源蛋白模建的方法得到，而抑制剂和靶酶结合复合物结构则通过分子力学和分子动力学结合的方法计算得到。
The 3d structure of EGFR was constructed using homology modeling, and the complex structures between receptor and ligands were predicted by using molecular mechanics and molecular dynamics.
表皮生长因子受体的三维结构通过同源蛋白模建的方法得到，而抑制剂和靶酶结合复合物结构则通过分子力学和分子动力学结合的方法计算得到。
The 3d structure of EGFR was constructed using homology modeling, and the complex structures between receptor and ligands were predicted by using molecular mechanics and molecular dynamics.
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