(unknown charset) [AMBER] how to choose the final binding mode

From: (unknown charset) 徐晓庶 <xsxu.sibs.ac.cn>
Date: Mon, 26 Jan 2015 19:23:41 +0800 (GMT+08:00)

Hello Amber user:

    I'm finished the MD simulation now. I want to analyze the binding mode between the protein and a small ligand, I'm confused how to choose the pose. As there will be a lot of poses generated during MD simulation, should I choose the pose of the last moment? Or do you have good suggestions about how to choose ?

Best Wishes

Xiaoshu Xu

PhD candidate

Key Laboratory of Synthetic Biology

Shanghai Institute of Biological Sciences

Chinese Academy of Science(CAS)




 


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Received on Mon Jan 26 2015 - 03:30:06 PST
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