摘要
从理论上探讨了QM/MM方法在模拟计算生物大分子体系的运用,实践表明这种方法能提高计算结果的精确性,能有效地降低计算成本.
In this paper, the application of QM / MM method in the simulation of biological macromolecular system is discussed in theory. The practice shows that this method can improve the accuracy of the results,and can effectively reduce the computational cost..
出处
《哈尔滨师范大学自然科学学报》
CAS
2015年第6期68-71,共4页
Natural Science Journal of Harbin Normal University
基金
黑龙江省教育厅科研课题(12543077)
