HLDA collective variables built from limited wild-type sampling predict mutation effects on Chignolin unfolding rates and correlate with transition kinetics.
Rare Event Kinetics from Adaptive Bias En- hanced Sampling.Journal of Chemical Theory and Com- putation2022,18, 6500–6509
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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.