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This is a Quantitative Study study.

Navigating the Unknown: Discovering Minimum Free Energy Pathways without Predefined End States

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A new algorithm identifies minimum free energy pathways, optimizing the search direction without predefined states.
This method shows effectiveness in model systems, expanding on the current limitations of structural biology data reliance.
The local sampling approach enhances the understanding of protein dynamics, particularly when lacking experimental endpoint data.
This work offers a significant methodological advancement for studying functional conformational transitions in proteins.

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A novel local sampling approach identifies pathways for protein conformational changes, not reliant on structural data.

Zhong et al. (2025) studied this question.

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