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Summary Reversible transitions between epithelial and mesenchymal cell states are a crucial form of epithelial plasticity for development and disease progression. Recent experimental data and mechanistic models showed multiple intermediate epithelial–mesenchymal transition (EMT) states as well as trajectories of EMT underpinned by complex gene regulatory networks. In this review, we summarize recent progress in quantifying EMT and characterizing EMT paths with computational methods and quantitative experiments including omics‐level measurements. We provide perspectives on how these studies can help relating fundamental cell biology to physiological and pathological outcomes of EMT.
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This content will become publicly available on April 24, 2026
Exploring reaction dynamics involving post-transition state bifurcations based on quantum mechanical ambimodal transition states
Abstract Computational methods for predicting product ratios in dynamically controlled reactions with shallow intermediates or bifurcating pathways after an ambimodal transition state are reviewed and benchmarked. The range of methods includes molecular dynamics simulations, machine learning-based models and recent advancements in correlational methods, all of which rely on quantum mechanical computations. Together, these approaches form a computational toolbox that enhances the efficiency and effectiveness of exploring reaction selectivity influenced by dynamic effects.
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- Award ID(s):
- 2153972
- PAR ID:
- 10628058
- Publisher / Repository:
- De Gruyter Brill
- Date Published:
- Journal Name:
- Pure and Applied Chemistry
- ISSN:
- 0033-4545
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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