Correcting the impact of docking pose generation error on binding affinity prediction

@david_koes Vina is indeed very useful, but the importance of docking power (low pose generation error) is overrated. The elephant in the #computationalchemistry room is that docking power generally has a small impact on the accuracy of binding affinity pr

RT @david_koes: @davidlmobley Some (small amount of) discussion here: https://t.co/P2lTe8OsUn and here https://t.co/beDdKkQyIJ

@davidlmobley Some (small amount of) discussion here: https://t.co/P2lTe8OsUn and here https://t.co/beDdKkQyIJ

[inserm-01370615] Correcting the impact of docking pose generation error on binding affinity prediction https://t.co/SQ065gFwlN