Comments L2

[raquellrios]

Comments:

• The QR code on slide 4 is not working for me, but I assume it is deactivated for now.
• Slide 17 has a great easy-to-follow explanation of what are pKa values. However I think it lacks a bullet point explaining what is the impact on simulations when protonation states are not properly predicted, such as, wrong binding affinity predictions. Additionally, I would include a sentence saying: "finding the right protonation state for proteins and ligands can be challenging! " Just so that students are aware of the importance and impact of protonation states.
• Typo on slide 24: "You have been told you to simulate" --> " You have been told to simulate"
• On the side of slide 29 I would add examples of non-protein molecules that are commonly found in the PDB (e.g., cholesterol, glycerol...)