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Currently, I do not have Jupyter notebooks for the following lectures, so I will need to create them (potentially from the slides), ideally also creating activities to try at the same time.
Energy minimization - [ ] Quantum mechanics
Solvation models (should probably update to have example OpenMM code using GBSA solvation, computing solvation free energy with radius updates)
Fluctuations, correlations, and error analysis (use density example and other samples from OpenMM).
Error analysis, part 2
Working with proteins (whole content for this one needs replacing, not just migration from slide format, probably to use OEBio)
Molecular visualization (needs updating to NOT exclusively use PyMol but also provide VMD intro)
Normal modes
Free energy calculations and the drug discovery process
Add content to solvation lecture on explicit solvent.
Please let me know if you're interested in helping with/taking ownership of content for any of these, especially if it overlaps with something you are already working on. I have slide content I could share and we could talk through what the material should cover. (cc @nathanmlim@sukanyasasmal@vtlim@bergazin )
The text was updated successfully, but these errors were encountered:
Currently, I do not have Jupyter notebooks for the following lectures, so I will need to create them (potentially from the slides), ideally also creating activities to try at the same time.
- [ ] Quantum mechanicsAdd content to solvation lecture on explicit solvent.
Please let me know if you're interested in helping with/taking ownership of content for any of these, especially if it overlaps with something you are already working on. I have slide content I could share and we could talk through what the material should cover. (cc @nathanmlim @sukanyasasmal @vtlim @bergazin )
The text was updated successfully, but these errors were encountered: