Abstract This paper mainly introduces the application of MOE software in teaching of molecular docking. The application process of MOE for molecular docking was introduced in detail,and the reliability of docking and the connection between small molecules and proteins were analyzed,so as to provide reference for the further drugs design. This case can be used for theoretical teaching or computer aided drug design experiment teaching,which enhances interests in learning of students and reduces the difficulty of teaching. Furthermore,it also provides a method for innovation and entrepreneurship projects involving molecular docking of college students.
JIN Ru-Yi, FAN Yi-Bao, RUAN Yu-Jun, LONG Xu, GUO Hui, TANG Yu-Ping. Application of MOE Software in Teaching of Molecular Docking[J]. Chinese Journal of Chemical Education, 2021, 42(22): 93-97.
