13 citations
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May 2016 in “International journal of biological macromolecules” This study demonstrated that molecular dynamics simulations of keratin could effectively model the mechanical properties of hair, aligning well with experimental data, especially when conducted in vacuum conditions.
December 2016 in “RepositóriUM (Universidade do Minho)” This review discusses molecular dynamics studies of hair keratin, highlighting newly developed computational models that replicate experimental phenomena and offering insights into molecular mechanisms.
14 citations
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January 2012 in “Proteins” This study's molecular dynamics simulations suggest that electrostatic interactions mainly stabilize peptide binding to human hair keratin, with the protein's dielectric constant significantly affecting free energy calculations.
16 citations
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January 2017 in “Physical chemistry chemical physics/PCCP. Physical chemistry chemical physics” This study presents computational modeling and experimental analysis of the HGT protein KAP8.1, identifying key structural features that may influence hair's response to environmental conditions.
This study used molecular dynamics simulations to illustrate the complex molecular behavior of the hair surface F-layer, highlighting how fatty acids interact with 18-MEA under different conditions.