Greetings to all. I am a student trying to understand various aspects of molecular docking. I have tried self-docking for a few proteins co-crystallized with larger molecular weight ligands with torsions more than 30. I tried reducing the torsions of ligands through AutoDock Vina since flexible ligands do not generate the binding poses in the specified active site. I would be grateful if anyone could let me know whether rigid ligand docking is a wrong approach if flexible ligands do not generate binding poses.
Thanking in advance, Regards, Thripthi S. ######################################################################## 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/
