I’ve successfully finished a 5-part workshop series going through various modules of the Schrodinger Bioluminate package. As part of the Stanford Teaching certificate I need to teach a certain number of hours, and at the same time I wanted to introduce my lab members to molecular modelling and simulations. The solution? I created a series of workshop sessions open for our group members!
This week marked the final week of the series, and after 5 sessions I hope that the members are now comfortable with using the Maestro interface and preparing proteins for molecular docking and MD simulations. The members also tried their hands on docking ligands into proteins with GLIDE, homology modelling with Prime, and running MD simulations using Desmond on the Stanford Sherlock cluster. This week I demonstrated some of the things they could do with MacroModel and Jaguar (molecular or quantum mechanical calculations).
All workshops were conducted completely online, which was challenging as I couldn’t really see what the participants were doing. But as expected, the group did well and were not afraid to ask for help when they needed it. Based on the evaluations I think that the group appreciated the effort and learnt something from these sessions, and I could credit the hours for my certificate – double mission accomplished!
Oh, and by the way… If you also want to go through these workshops, the tutorials can be found in my Github repository: https://github.com/yasminshamsudin/schrodinger