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OALib Journal期刊
ISSN: 2333-9721
费用：99美元
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比较分子场分析方法研究的最新进展*
Keywords: 比较分子场分析,构效关系,三维定量构效关系,遗传算法
Abstract:
比较分子场分析方法(CoMFA)是目前在三维定量构效关系(3D2QSAR)中应用最为广泛的方法之一。但传统的比较分子场分析方法在具体的实现过程中还存在着一些缺陷和不足,包括分子场势能函数的选择,活性构象的确定,分子的叠合以及分子场变量的选取等等。本文结合我们科研组的工作,就近几年CoMFA方法的最新进展做了较为详细的阐述,同时对CoMFA的发展前景及其在药物设计中的应用进行了展望。
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