数据采集与处理2018，Vol.33Issue(2)：195-206,12.DOI:10.16337/j.1004-9037.2018.02.001
识别蛋白质配体绑定残基的生物计算方法综述
An Overview of Biocomputing Methods of Targeting Protein-Ligand Binding Residues
摘要
Abstract
Interactions between proteins and ligands are ubiquitous and indispensable in the process of life.These interactions play important roles in the biological molecular recognition and in the process of signal transmission.Identifying the binding residues of the protein-ligand interactions has important scientific significance for protein function research,drug design and screening.Biocomputing method has become an important method for the prediction of protein-ligand binding residues.This paper first describes the common definition of the binding residues of the protein-ligand interactions.Next,a systematic category of protein-ligand binding residue prediction is proposed,and several prediction methods in each category are described.This paper then demonstrates the related protein databases and the evaluation indexes,and experimentally compares and analyzes the performances of some representative prediction methods on the corresponding data sets.Finally,the future research directions of protein-ligand binding residue prediction are proposed,which provide some references for relevant researchers engaged in the field of protein-ligand binding residue prediction.关键词
蛋白质与配体相互作用/绑定残基预测/分类体系/性能比较Key words
protein-ligand interaction/binding residues prediction/systematic category/performance comparisons分类
信息技术与安全科学引用本文复制引用
於东军,朱一亨,胡俊..识别蛋白质配体绑定残基的生物计算方法综述[J].数据采集与处理,2018,33(2):195-206,12.基金项目
国家自然科学基金(61772273,61373062)资助项目. （61772273,61373062）
