John Chodera (he/him)
jchodera
I gave our annual State of the Lab address this week! I shamelessly borrowed the idea from Ken Dill--an incredibly clear communicator--who would annually dive into what we had done,
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ML/MM is the new QM/MM! In our new @biorxivpreprint, we show how to break the 1 kcal/mol accuracy barrier for alchemical free energy calculations using hybrid machine learning / molecular
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