虚拟筛选
计算机科学
对接(动物)
筛选试验
相似性(几何)
情报检索
蛋白质-配体对接
药物发现
数据挖掘
数据库
人工智能
生物信息学
医学
生物
护理部
家庭医学
图像(数学)
作者
Martin Ståhl,Matthias Rarey,G. Klebe
出处
期刊:Methods and principles in medicinal chemistry
日期:2001-11-01
卷期号:: 137-170
被引量:5
标识
DOI:10.1002/3527601481.ch14
摘要
This chapter contains sections titled: Introduction Methods for virtual screening Ligand similarity-based virtual screening Structure-based virtual screening Practical virtual screening First test scenario: application of fast similarity searching algorithms Library generation Computational details Discussion of screening results Second test scenario: docking as a tool for virtual screening tool Library generation Docking procedure Discussion of docking results Conclusions and outlook
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