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Our recent work on accelerating convergence of RNA ensembles is available at JCTC

Our recent work, led by Dr. Kenneth Lam, shows how a set of alternate structures can be used to rapidly converge accurate thermodynamic ensembles for RNA. More details can be found at the link below!

https://pubs.acs.org/doi/10.1021/acs.jctc.2c00065

Carlos SimmerlingMay 18, 2022
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Amber version 22 is released

Carlos SimmerlingMay 18, 2022
 
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Department of Chemistry
Laufer Center for Physical and Quantitative Biology