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Our new paper with Raleigh lab is out!

Probing interactions in the denatured state ensemble of proteins by combining experiments and alchemical free energy calculations. Gives insight that neither method alone can provide! https://pubs.acs.org/doi/full/10.1021/acs.jpcb.0c08922

Carlos SimmerlingMarch 29, 2021
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Our new paper on the dynamics of the coronavirus spike is out in JACS!

Carlos SimmerlingJanuary 24, 2022
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ACS Chemical Biology paper on photoactivation published

Carlos SimmerlingNovember 4, 2020
 
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Department of Chemistry
Laufer Center for Physical and Quantitative Biology