Alchemical transformations and DDG of point mutations

From: Gianluca Interlandi (
Date: Wed Dec 12 2012 - 14:22:55 CST

Dear NAMD list,

I was wondering whether there is any published work where NAMD and
alchemical transformations were used to calculate differences in DeltaG
due to point mutations in globular proteins.

I found a similar thing done with gromacs:

I wished I could find something similar done with NAMD.



Gianluca Interlandi, PhD
                     +1 (206) 685 4435

Research Scientist at the Department of Bioengineering
at the University of Washington, Seattle WA U.S.A.

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