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[modeller_usage] Close contacts between protein and ligand
- To: modeller_usage@listsrv.ucsf.edu
- Subject: [modeller_usage] Close contacts between protein and ligand
- From: majort AT biu.ac.il
- Date: Fri, 21 Jul 2023 11:08:35 +0000
Hi
I'm modeling protein with ligands (using the "." options in the sequence file). However, in the final models the contacts between protein side chains and ligands are too close (the template and target have differently sized ligands; the template target ligand has a smaller ligand). Is there a way to avoid this, like giving less weight to the homology terms and greater weight to the standard FF terms?
Thanks,
Dan