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AutoDock, AutoLigand, MGLTools, Vina, PyRx and more.
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PostPosted: Sun Jul 12, 2009 1:31 pm 
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Millimolar User
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Joined: Sun Jul 12, 2009 11:30 am
Posts: 1
Hi, I'm a molecular biology student......I have just tested the power of AutoDock Vina.....!!!! so great.....
In addition, because I have some data about chemical shifts perturbations relative to NMR titration based on protein-ligand interaction, I ask you if is there a way to utilize Vina with CSPs restrain and/or filtering is result to isolate the best pose....
thank you....

PS Sorry for my bad english ;-)

bye....


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