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Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.1c01140
Abstract: PSD-95/discs-large/ZO-1 (PDZ) domains form a large family of adaptor proteins that bind to the C-terminal tails of their binding partner proteins. Via extensive molecular dynamics simulations and alchemical free energy calculations, we characterized the binding…
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Keywords:
peptides bind;
discs large;
free energy;
psd discs ... See more keywords