[AMBER] WHAM, DHAM, MBAR, BAR, TI...

From: Andreas Tosstorff <andreas.tosstorff.cup.uni-muenchen.de>
Date: Thu, 19 Oct 2017 18:04:22 +0200

Dear all,

I was wondering if there was any literature that compares WHAM, DHAM, MBAR, BAR, with TI. My understanding of all these methods is very superficial. I am currently using TI as implemented in the APR script by the gilson group. But I was wondering if using other methods to get the free energy of binding would also make sense or even improve accuracy.

I would really appreciate any suggestions.

Best,
Andreas
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Received on Thu Oct 19 2017 - 09:30:03 PDT
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