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neural network based path integral molecular dynamics simulations  (Molecular Dynamics Inc)

 
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    Structured Review

    Molecular Dynamics Inc neural network based path integral molecular dynamics simulations
    Neural Network Based Path Integral Molecular Dynamics Simulations, supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/network+simulator/dynamics+molecular+simulations/pm41770588-497-18-22
    Average 86 stars, based on 1 article reviews
    neural network based path integral molecular dynamics simulations - by Bioz Stars, 2026-11
    86/100 stars

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    Related Articles

    Functional Assay:

    Article Title: Protein fibril-based delivery systems for bioactive substances: Structural design, functional regulation, and food applications.
    Article Snippet: Protein fibrils (PFs) are β-sheet-rich supramolecular assemblies with high aspect ratios, tunable surface chemistry, and multiscale assembly behavior, making them promising food-grade carriers for bioactive compounds.. However, their delivery performance depends not simply on increasing fibril order or structural stability, but on balancing carrier robustness with molecular binding and release behavior.. This review examines the regulatory mechanisms of PFs and the roles of key structural features in governing their physicochemical and biological activities, treating PFs as foundational templates rather than direct raw materials.

    Binding Assay:

    Article Title: Protein fibril-based delivery systems for bioactive substances: Structural design, functional regulation, and food applications.
    Article Snippet: Protein fibrils (PFs) are β-sheet-rich supramolecular assemblies with high aspect ratios, tunable surface chemistry, and multiscale assembly behavior, making them promising food-grade carriers for bioactive compounds.. However, their delivery performance depends not simply on increasing fibril order or structural stability, but on balancing carrier robustness with molecular binding and release behavior.. This review examines the regulatory mechanisms of PFs and the roles of key structural features in governing their physicochemical and biological activities, treating PFs as foundational templates rather than direct raw materials.

    other:

    Article Title: Formulation of amorphous solid dispersion of clofazimine, an extremely water-insoluble basic drug, via hot-melt extrusion by applying acid-base supersolubilization principle.
    Article Snippet: Clofazimine (CFZ) is an anti-leprosy and anti-tuberculosis drug listed on the World Health Organization's (WHO) Model List of Essential Medicines, but it is extremely water-insoluble and has major dissolution and bioavailability issues, and presumably for these reasons, its only commercially available formulation, Lamprene®, was withdrawn from the US market by its manufacturer.. The present investigation was undertaken to develop amorphous solid dispersions (ASDs) of CFZ using hot-melt extrusion (HME) to increase its dissolution rate.. The process was, however, challenging because CFZ has a high melting point of 224 °C, requiring high processing temperatures, at which the drug and the polymer used could degrade.



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