From: CCP4 bulletin board on behalf of Schnicker,
Nicholas J <bdeb287ce9fd-dmarc-requ...@jiscmail.ac.uk>
Sent: Tuesday, February 6, 2024 4:55 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Calculation of energetics for many mutations
Hi all,
I'm looki
Hi all,
I'm looking for some suggestions for calculating energetics for an existing
ligand bound protein structure. There are many mutations/combination of
mutations within the ligand binding pocket that we'd like to make and then
calculate energetics for all of them.
Please let me know if you
