Greetings to all! I have performed molecular docking on a few compounds and the co-crystallized ligand using Glide. While calculating the MM/GBSA of the docked complexes through Prime MM/GBSA, the binding energies obtained for the docked compound as well as the co-crystallized compounds are positive while the docking scores are negative. I tried to find and rectify the mistakes but in vain. I do not understand how to proceed further. Any assistance in this regard would be very beneficial for me.
Thanking in advance, With regards, Thripthi Shenoy. ######################################################################## 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/
