摘要
计算机技术的发展极大地促进了生命科学研究进程。利用分子对接技术研究受体蛋白和药物相互作用是当前的热点课题。通过分别建立蛋白质和药物分子模型,并对它们的相互作用进行研究,进而为发现并设计出更加理想、安全、有效的药物打下深厚的基础。分子模型建立的问题已经得到很好的解决,但是分子与分子间以什么方式对接、怎样对接等问题尚待深入研究。本文就当前分子对接的研究进展作一综述,着重介绍了分子对接的方法和常用工具的研究情况。
The development of computer technology greatly facilitated the process of life science research. The study on the use of molecular docking receptor protein and drug interactions is the current hot spot. The molecular models of proteins and drugs are established and the interaction are studyed. In this way, the more ideal, safe and effective drugs are designed. The problem how to create the molecule model has been solved. Protein molecules and drug molecules docking in what manner, and this problem is worth exploring. This article describes the current research progress in molecular docking, emphasizing on its methods and tools.
出处
《中国临床药理学与治疗学》
CAS
CSCD
2009年第11期1308-1313,共6页
Chinese Journal of Clinical Pharmacology and Therapeutics
关键词
分子对接
蛋白质柔性
模型优化
分子模拟
molecular docking
protein flexibili-ty
optimization model
molecular simulation
