HLDA collective variables built from limited wild-type sampling predict mutation effects on Chignolin unfolding rates and correlate with transition kinetics.
Druggable protein–protein interactions – from hot spots to hot seg- ments.Current Opinion in Chemical Biology2013,17, 952–959, Synthetic biology•Synthetic biomolecules
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Guiding Peptide Kinetics via Collective-Variable Tuning of Free-Energy Barriers
HLDA collective variables built from limited wild-type sampling predict mutation effects on Chignolin unfolding rates and correlate with transition kinetics.