On 9/28/12 9:27 AM, Archana Sonawani wrote:
Hi,
I have performed simulations for 3 different ligands complexed with the
same protein. I want to compare the binding energies of these different
three complexes. Will umbrella sampling be useful in this case?
Several methods could be used, and umbrella sampling is certainly one of them.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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