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摘要:
Strategies for CADD vary depending on the extent of structural and other information available regarding the target (enzyme/receptor) and the ligands. Computer-aided drug design (CADD) is an exciting and diverse discipline where various aspects of applied and basic research merge and stimulate each other. In the early stage of a drug discovery process, researchers may be faced with little or no structure activity relationship (SAR) information. The process by which a new drug is brought to market stage is referred to by a number of names most commonly as the development chain or “pipeline” and consists of a number of distinct stages. To design a rational drug, we must firstly find out which proteins can be the drug targets in pathogenesis. In present review we reported a brief history of CADD, DNA as target, receptor theory, structure optimization, structure-based drug design, virtual high-throughput screening (vHTS), graph machines.
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篇名 Computer-Aided Drug Design: An Innovative Tool for Modeling
来源期刊 药物化学期刊(英文) 学科 医学
关键词 CADD HTS Software for General PURPOSE Molecular MODELING SBDD
年,卷(期) 2012,(4) 所属期刊栏目
研究方向 页码范围 139-148
页数 10页 分类号 R73
字数 语种
DOI
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研究主题发展历程
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CADD
HTS
Software
for
General
PURPOSE
Molecular
MODELING
SBDD
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引文网络交叉学科
相关学者/机构
期刊影响力
药物化学期刊(英文)
季刊
2164-3121
武汉市江夏区汤逊湖北路38号光谷总部空间
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64
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0
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