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the main driving force and the distance
https://www.dockingserver.com/forum/viewtopic.php?f=5&t=73
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Author:  yingliu [ Sat Feb 25, 2012 8:26 pm ]
Post subject:  the main driving force and the distance

How can I know the main driving force of the interaction between the ligand and protein? Furthermore, the intrinsic fluorescence of HSA is manly due to the sole tryptophan residue (Trp-214) in the hydrophobic cavity of subdomain IIA.But the result did not presence the interation between the ligand and Trp-214.

Author:  bikadi [ Sun Feb 26, 2012 8:00 pm ]
Post subject:  Re: the main driving force and the distance

I do not think that there is such a thing that main driving force - you can check out the interactions between the ligand and the protein in the interaction table. Your problem related to Tyr can be a consequence of an inappropriate simulation box selection, please check it out, isthat Tyr in the box? For albumin, we have a one-click docking solution, maybe you can try that too: http://albumin.althotas.com

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