bo_rrito

bo_rrito t1_j7n15as wrote

Thank you-- this is an interesting perspective! I spend large amounts of time convincing structure-based scientists that dynamics, thermodynamics, and kinetics are important to understand drug binding and biological function (and especially allostery), so circumventing structure seems like a whole other paradigm.

If you can point me to any comprehensive papers describing your approach, I'd be really grateful!

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