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