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Logic setting for simultaneous docking of multiple ligands #334
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Hi @Tang-Rich
To determine which binding site is preferred, you could compare the docking scores at the two binding sites. But if the difference is small, then you might want to consider free energy calculation and other methods with better precision for a better estimate
By default the receptor is fully rigid. But it's possible to specify flexible sidechains. Please see:
The order shouldn't matter. However, if you observe any order-dependent behaviors in the results (scores, poses), please let us know and we will take a look ^^ |
Hello, I am using Vina version 1.2.5 to process docking of multiple phenolic acid compounds and enzymes. I have encountered the following problems and would appreciate answers!
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