Alex MacKerell
@alexmackerell.bsky.social
Computational chemistry and biophysics. Empirical force fields, CADD, RNA, carbohydrates, and methods developments including SILCS (site identification by ligand competitive saturation, See SilcsBio LLC) and enhanced-sampling GCMC. And I surf....
And certainly don't ask generative AI to create a Z-matrix for your molecule. The outcomes are not pretty!
October 16, 2025 at 9:42 PM
And certainly don't ask generative AI to create a Z-matrix for your molecule. The outcomes are not pretty!
Väldigt bra! I hope all is well!
May 20, 2025 at 12:13 AM
Väldigt bra! I hope all is well!
Reposted by Alex MacKerell
I have heard from a reliable source that the NIGMS council is rescheduled for sometime In April even though it isn’t posted yet. Not sure about other councils
March 14, 2025 at 8:05 PM
I have heard from a reliable source that the NIGMS council is rescheduled for sometime In April even though it isn’t posted yet. Not sure about other councils