报告题目：Structural bioinformatics approaches for exploring the interactions between proteins and other molecules

报告人：祝小雷（安徽大学生科院生物统计系，特聘副教授）

时间：2018.06.21（星期四）下午14:00

地点：生物电子学国家重点实验室三楼会议室

Abstract

Proteins play pivotal roles in almost all biological process. They do not act as isolated units; instead, they often perform their functions by interacting with other molecules, such as proteins, nucleic acids or small molecules. With development of structural biology, more and more structures of protein complexes have been determined. Based on these 3D structures of protein complexes, researchers are able to study the principles that govern the interactions between proteins and other molecules. A larger number of geometric and physicochemical properties, such as shape, electrostatic potential, hydrogen bond, desolvation and other interaction properties on the interfaces have been extensively studied and quantitatively modeled to build their relationship with the different types of interactions. Based on the insights of the structural analysis, different structural bioinformatics tools have been developed to predict the interactions between proteins and other molecules. These tools will have great potential for boosting drug virtual screening, protein design, and many other applications. In past years, my colleagues and I have developed a series of web-based tools (i.e., DBSI, Patch-Surfer2.0, KFC2, dbAMEPNI, iPNHOT) for characterization and prediction of the interactions between proteins and other molecules. In this talk, I will talk about our recent works for predicting the binding sites between proteins and DNA/small molecules and the hotspot residues on the protein-protein and protein-nucleic acid interfaces. In addition, I will also briefly introduce my researches about the post-transcription sites prediction.