how to specify residues as binding sites in docking
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7.3 years ago

Hello, I'm a beginner with docking and wonder that could it possible to specify some residues as binding sites for small molecular virtual screening. I have one protein without ligand and the possible active sites have been known by sequence comparison. So,Could it possible to specify residues as binding sites? I'm using DOCK6 and appreciate that if u have any suggestion.

Thanks in advance! Cheers, Allen

virtual screening protein-ligand docking • 1.6k views
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