High-Resolution Tuning of Non-Natural and Cyclic Peptide Folding Landscapes against NMR Measurements Using Markov Models and Bayesian Inference of Conformational Populations
The rational design of stable and highly preorganized non-native and/or cyclic peptides is a challenging task that requires atomically detailed insight into folded and unfolded conformational ensembles. In this work, we demonstrate how Markov models constructed from collections of simulated trajecto...
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2025
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