I am wondering if anyone has recommendations on resources to learn how to simulate proteins.

I was having the most interesting conversation about proteins with a friend who is doing her PHD in antibiotics. She told me she had to run a protein simulation, and how her professor sent it over to some lab with super computers. so definitely interested in learning what the state of the art is with regards to these simulations.

I've done ~4 years of Physics modeling so I am familiar with how simulation in the engineering world works.

I've done cursory googling and found some books - but looking for recommendations before I make a purchase.

https://link.springer.com/bookseries/7651 https://www.wiley.com/en-us/Molecular+Dynamics+Simulation%3A+Elementary+Methods-p-9780471184393