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!
bo_rrito t1_j7n15as wrote
Reply to comment by IHaque_Recursion in We’re Recursion and we’re using AI to decode biology and industrialize drug discovery! by ShakeNBakeGibson
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!