How to calculating association and dissociation constants between two protein after MD simulation?

15 December 2020 1 3K Report

I am trying to calculate both association and dissociation constants between two proteins after MD simulation but my script isn't working. I need someone to kindly assist with script(s) or information on how to do this. Thanks.

A. Abdurrazaq

please see this link

http://archive.ambermd.org/202012/0167.html

sincerely

Dr Ahmed Elrashedy

UKZN , westivlle campuse

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