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Systematic Testing of Belief-Propagation Estimates for Absolute Free Energies in Atomistic Peptides and Proteins.

Donovan-Maiye RM, Langmead CJ, Zuckerman DM.

J Chem Theory Comput. 2018 Jan 9;14(1):426-443. doi: 10.1021/acs.jctc.7b00775. Epub 2017 Dec 22.


Biophysical comparison of ATP synthesis mechanisms shows a kinetic advantage for the rotary process.

Anandakrishnan R, Zhang Z, Donovan-Maiye R, Zuckerman DM.

Proc Natl Acad Sci U S A. 2016 Oct 4;113(40):11220-11225. Epub 2016 Sep 19.

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