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Creators/Authors contains: "Freeman, John"

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  1. ; ; ; ; (, Journal of Physics: Condensed Matter)
    Abstract This review article discusses some common enhanced sampling methods in relation to the process of self-assembly of biomolecules. An introduction to self-assembly and its challenges is covered followed by a brief overview of the methods and analysis for replica-exchange molecular dynamics, umbrella sampling, metadynamics, and machine learning based techniques. Applications of select methods towards peptides, proteins, polymers, and nucleic acids are discussed. Finally, a short discussion of the future directions of some of these methods is provided. 
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    Free, publicly-accessible full text available July 23, 2026