Alchemical transformations and DDG of point mutations

From: Gianluca Interlandi (gianluca_at_u.washington.edu)
Date: Tue Dec 11 2012 - 15:22:37 CST

Dear NAMD list,

I was wondering whether anybody has a reference about how to use free
energy perturbations in order to calculate differences in DeltaG due to
point mutations in globular proteins.

Thanks!

      Gianluca

-----------------------------------------------------
Gianluca Interlandi, PhD gianluca_at_u.washington.edu
                     +1 (206) 685 4435
                     http://artemide.bioeng.washington.edu/

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