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Ward Clustering Improves Cross-Validated Markov State Models of Protein Folding.Optimized parameter selection reveals trends in Markov state models for protein folding.Modeling the mechanism of CLN025 beta-hairpin formation.Note: MSM lag time cannot be used for variational model selection.A minimum variance clustering approach produces robust and interpretable coarse-grained models.Markov State Models: From an Art to a Science.Identification of simple reaction coordinates from complex dynamics.Impurity effects on solid-solid transitions in atomic clusters.Simultaneous coherent structure coloring facilitates interpretable clustering of scientific data by amplifying dissimilarityVariational encoding of complex dynamicsVariational selection of features for molecular kineticsKernel methods for detecting coherent structures in dynamical data
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description
researcher
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wetenschapper
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B E Husic
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B E Husic
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B E Husic
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B E Husic
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B E Husic
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B E Husic
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0000-0002-8020-3750