PHIP2 stage 2: Unspecified stereocenters?

[davidlmobley]

I believe F179 and F501 (especially F501) have unspecified steroecenters which are important. How were these tested (as a racemic mix, or pure)? And which stereoisomer should people be predicting binding modes for?

Tagging @haroldgrosjean

[haroldgrosjean]

Hi,

Please see my comment in the following pull-request:
#80

I hope this helps and let me know if you require any further information.

Cheers,

Harold

[davidlmobley]

Can you just say which one appears to dominate in these two cases? (Which one did you use in the refinement?)