虚拟筛选
药物发现
计算机科学
过程(计算)
药品
组分(热力学)
风险分析(工程)
生化工程
纳米技术
系统工程
数据科学
工程类
生物信息学
药理学
医学
材料科学
生物
物理
热力学
操作系统
作者
Umesh Panwar,Murali Aarthy,Mohammad Aqueel Khan,Chandrabose Selvaraj,Sanjeev Kumar Singh
出处
期刊:Methods in molecular biology
日期:2023-09-08
卷期号:: 21-31
被引量:2
标识
DOI:10.1007/978-1-0716-3441-7_2
摘要
Due to its capacity to drastically cut the cost and time necessary for experimental screening of compounds, virtual screening (VS) has grown to be a crucial component of drug discovery and development. VS is a computational method used in drug design to identify potential drugs from enormous libraries of chemicals. This approach makes use of molecular modeling and docking simulations to assess the small molecule’s ability to bind to the desired protein. Virtual screening has a bright future, as high computational power and modern techniques are likely to further enhance the accuracy and speed of the process.
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