Fullsamples ABF choice

From: ROPÓN-PALACIOS G. (biodano.geo_at_gmail.com)
Date: Thu Mar 03 2022 - 17:00:57 CST

Der all,

I’m try to using Adaptativa Biasing Force to compute PMF and deltaG into protein-protein interaction, and I’ve any questions:

1. How biasing is add to original potential, it not is clear for me.
2. What’s best protocol to choice full samples value?
3. How reconstruct PMF from ABF?
4. How calculate deltaG from PMF?


Enviado desde mi iPhone

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