[AMBER] Implicit solvent simulation effects for the folding

From: Mijiddorj B <b.mijiddorj.gmail.com>
Date: Tue, 6 Nov 2018 12:17:47 +0900

Dear Amber Users,

I would like to discuss about the effects of implicit solvents for the
folding simulation. I used the implicit Generalised Born solvent for the
linear structure of amphipilic peptides based on the sequence. I simulated
100 ns, and I was formed alpha helical structure. Experimentally, it shows
random coil structure in the water.

What do you think? please advice me.

Best regards,
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Received on Mon Nov 05 2018 - 19:30:03 PST
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