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 have suggestions for the best software to perform this in a high-throughputish manner? Thanks, Nick ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
