Computer aided drug design

被引：10

作者：

Jain, A. ^{[1
]}

机构：

[1] Jyoti Mahila Vidya Peeth, Dept Pharmaceut Sci, Jaipur, Rajasthan, India

来源：

1ST PHYSICS AND TECHNOLOGIES IN MEDICINE AND DENTISTRY SYMPOSIUM | 2017年 / 884卷

关键词：

FIELD ANALYSIS COMFA; DIHYDROFOLATE-REDUCTASE; DISTANCE GEOMETRY; MULTIPLE-REGRESSION; BINDING AFFINITIES; QSAR; DEFINITION; INHIBITION; VALIDATION; ALGORITHMS;

D O I：

10.1088/1742-6596/884/1/012072

中图分类号：

R78 [口腔科学];

学科分类号：

1003 ;

摘要：

Computer based method can help in discovery of leads and can potentially eliminate chemical synthesis and screening of many irrelevant compounds, and in this way, it save time as well as cost. Molecular modeling systems are powerful tools for building, visualizing, analyzing and storing models of complex molecular structure that can help to interpretate structure activity relationship. The use of various techniques of molecular mechanics and dynamics and software in Computer aided drug design along with statistics analysis is powerful tool for the medicinal chemistry to synthesis therapeutic and effective drugs with minimum side effect.

引用

页数：23

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