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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Main Author: Thi Dung Nguyen (21513519) (author)
Other Authors: Robert M. Raddi (17615168) (author), Vincent A. Voelz (267369) (author)
Published: 2025
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