ADL: AutoDockFR: how to do hydration docking?

Michel Sanner sanner at scripps.edu
Mon Oct 12 08:55:05 PDT 2020


Hello

Hydrated docking was developed by Dr. Forli and was published in

Stefano Forli and Arthur J. Olson
Journal of Medicinal Chemistry 2012 55 (2), 623-638
DOI: 10.1021/jm2005145

https://pubs.acs.org/doi/abs/10.1021/jm2005145?casa_token=Auz34a7diTsAAAAA:1nat60SHCWHDZT-nqqj5y3eisB4QzbE9aKYNKDbCzE-0DyEFkyLgCSapUKaUhvj90KvdTBKMcx5VE4I

AFGR allows to compute the water map described in this article. Refer to 
the paper for using them

best regards


On 10/11/20 5:59 PM, Gao Zhenting wrote:
> Dear ADFR developer,
>
> I've used AutoDock hydrated docking protocol, and it is a unique tool.
> Now  I found "water map setting" in "ADFR suite 1.0", can we use it for
> hydrated docking? and How?
>
> Best regards
> Zhenting
> 10/12/2020
> ________________________________________________
> --- ADL: AutoDock List  --- http://autodock.scripps.edu/mailing_list ---

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