文献类型：期刊文献

英文题名：Online bioinformatics teaching practice: Comparison of popular docking programs using SARS-CoV-2 spike RBD-ACE2 complex as a benchmark

作者：Fan, Wenxuan[1,2];Mencius, Jun[1,3];Du, Wenjing[1];Fan, Huangyunxian[1];Zhu, Hongjin[2];Wei, Dongzhi[1,3];Zhou, Mian[1,3];Quan, Shu[1,3]

机构：[1]East China Univ Sci & Technol, Sch Biotechnol, 130 Meilong Rd, Shanghai 200237, Peoples R China;[2]East China Univ Sci & Technol, Sch Pharm, Shanghai, Peoples R China;[3]East China Univ Sci & Technol, Shanghai Collaborat Innovat Ctr Biomfg, State Key Lab Bioreactor Engn, Shanghai, Peoples R China

年份：2021

卷号：49

期号：6

起止页码：833

外文期刊名：BIOCHEMISTRY AND MOLECULAR BIOLOGY EDUCATION

收录：;WOS:【SCI-EXPANDED(收录号:WOS:000682970900001)】；

基金：National Natural Science Foundation of China, Grant/Award Numbers: 31661143021, 31670802

语种：英文

外文关键词：COVID-19; molecular docking; protein complex; SARS-CoV-2

摘要：In this information era, there is an urgent need for tighter integration of bioinformatics and experimental biology. The enormous amount of data generated by biological experiments calls for extensive computational analysis. Many bioinformatics textbooks at present mainly focus on theories, which hinders the vigorous development of scientific research. As a result, most students are simply familiar with the bioinformatics theories but lack the opportunity to put them into practice. Here, we present our bioinformatics docking project conducted during the self-isolation period of the COVID-19 pandemic. Five students used the RBD-ACE2 complex as a benchmark to conduct a systematic comparison of several open-source online molecular docking programs. The virus surface spike protein mediates the entry of the SARS-CoV-2 virus into human cells by binding to its receptor, angiotensin-converting enzyme 2 (ACE2), through its receptor-binding domain (RBD). Through docking and comparing predicted structures to the crystal structure, students gained the opportunity to practice different bioinformatics tools independently and conduct research collaboratively. It opens a window for students to reach out to the state-of-the-art bioinformatics techniques and to keep up with the research trends. The online workshop has also proven to be an innovative method for bioinformatics teaching. We hope our work can inspire other educators to develop strategies to expose undergraduate students to modern bioinformatics and turn every temporary difficulty into a possible learning opportunity.