[AMBER] MD of 1:1 mixture compound

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From: Saman Yousuf ali <saman.yousufali64.yahoo.com>
Date: Wed, 27 Apr 2016 05:10:56 +0000 (UTC)

Dear Amber Users,
If any organic compound is exist in 1:1 mixture of dehydrated and hydrated form an this mixture is active against any protein target, so how we can figure out via MD simulation that which one is responsible for activity? Kindly guide me and if anyone have example of work like this please share article link with me.

Thank you Best Regards, Saman Yousuf AliJunior Research Fellow,
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Received on Tue Apr 26 2016 - 22:30:03 PDT