February 2026 in “Colloids and Surfaces A Physicochemical and Engineering Aspects” Using molecular dynamics simulations, this study explored the uptake processes of JAK inhibitors on stratum corneum and hair follicle membranes, revealing a unique interaction mechanism in the hair follicle and offering insights into transdermal drug delivery pathways.
May 2025 in “Frontiers in Bioinformatics” This study used computational methods to identify six molecules, with jamogenin being particularly promising, that effectively bind to and inhibit the enzyme linked to male pattern hair loss, suggesting these compounds could be explored further for hair growth potential.
This study investigated the molecular mechanisms behind the formation of drug-polymer inclusion complexes and found that carbamazepine can self-assemble into stable channel structures without guest polymers, unlike griseofulvin, which requires guest molecules for structural stability.
May 2023 in “Pharmaceuticals” In this in silico study, researchers analyzed nonsynonymous SNPs in the LIPH gene linked to hypotrichosis and identified three potentially harmful variants (W108R, C246S, and H248N) out of 215 total, using sequence- and architecture-based bioinformatics techniques to differentiate between harmful and benign SNPs.
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.
October 2021 in “Authorea (Authorea)” In this study, using tyrosine as a cross-linking agent for hair perming showed better initial results compared to commercial products, though efficiency decreased after washing without compromising hair strength.
March 2016 in “RepositóriUM (Universidade do Minho)” Molecular dynamics simulations help understand keratin's properties and predict hair's response to treatments.
November 2022 in “Journal of Herbal Medicine” This study suggests that three mushroom-derived bioactive compounds, Zhankuic acid A, Sterenin M, and Melleolide K, may effectively inhibit SRD5A2 and stabilize its interaction, indicating potential for treating androgenic alopecia.
15 citations
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June 2016 in “Computers in Biology and Medicine” This study's simulation found that Ascorbyl Tetraisopalmitate penetrates more efficiently through the skin's stratum corneum than via the infundibulum, following different pathways and dynamics in each membrane.
May 2026 in “Scientific Reports” This study explored the potential of stigmasterol as a treatment for androgenetic alopecia through various simulation techniques, finding promising interactions with key genes involved in hair loss, but further experimental validation is needed before clinical application.
December 2025 in “Fullerene Journal of Chemistry” This study investigated the potential of nutmeg-derived phytochemicals as anti-alopecia agents using molecular docking and simulations, finding that geranylgeraniol exhibited significant binding stability and potential efficacy against androgenetic alopecia comparable to finasteride and superior to minoxidil.
40 citations
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September 2004 in “Biomacromolecules” In this study, molecular dynamics simulations indicated that the Glu413Lys mutation in human hair keratin significantly affects the stability of coiled coil structures, whereas Glu413Asp showed no impact on stability.
January 2024 in “Applied Mathematics and Nonlinear Sciences” This study developed a mathematical model to explore the interactions between hair cycle dynamics and immune system activity in alopecia areata, providing insights into disease progression and potential targets for treatment by simulating immune response effects on hair follicles.
May 2023 in “The Journal of Immunology” In this study of C3H/HeJ mice, researchers observed that alopecia areata is associated with the expansion of exhausted-memory CD8 T cells in multiple organs, with autoreactive activation not fully explained by known mechanisms, shedding light on the immunological dynamics underlying the condition.
2 citations
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July 2020 in “bioRxiv (Cold Spring Harbor Laboratory)” This study demonstrates that neural stem cells in the adult vertebrate brain coordinate their division decisions using delayed local feedback mechanisms, involving Notch-mediated inhibition and dispersion effects, to maintain population homeostasis.
147 citations
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September 2001 in “Computer graphics forum” This paper introduces a novel approach to simulate hair dynamics by modeling hair volume as a continuum, effectively treating interaction dynamics as fluid dynamics for realistic hair animation rendering.
November 2025 in “Nature Communications” This study used a 3D live imaging system to map cell dynamics in human hair follicles, revealing patterns of cell movement and division that help explain hair fiber extrusion during hair growth.
May 2024 in “Pharmacia/Farmaciâ” In this study, Ipomoea batatas leaf extracts exhibited significant hair growth stimulation and strong antifungal activity against Malassezia furfur, potentially offering a promising treatment for alopecia with further research needed on their androgen receptor inhibition potential.
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.
March 2024 in “Research Square” This study developed a mathematical model to simulate immune interactions and hair cycle dynamics in alopecia areata, identifying influential factors affecting hair growth and offering insights into potential treatment strategies by targeting immune dysregulation.
January 2024 in “Research Square” In this study, researchers developed a mathematical model to explore how immune system dynamics affect hair follicle behavior in alopecia areata, identifying key parameters influencing disease progression and suggesting potential treatment strategies targeting immune dysregulation.
January 2002 in “Europe PMC (PubMed Central)” This study presents a follicular automaton model that simulates human hair cycle dynamics and can reproduce hair patterns similar to diffuse or androgenetic alopecia by incorporating spatially heterogeneous parameters and follicle miniaturization.
322 citations
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January 1997 in “Thrombosis and Haemostasis” This review discusses factors influencing angiogenesis, focusing on vascular permeability factor as a key inducer and thrombospondin as a notable inhibitor, and recommends exploring molecular mechanisms for therapeutic interventions.
67 citations
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July 2000 in “Proceedings of the National Academy of Sciences” This study developed a follicular automaton model that simulates human hair cycle dynamics and can replicate hair pattern changes associated with diffuse or androgenetic alopecia.
1 citations
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September 2025 in “PLoS ONE” This study observed that in mouse fetuses, reticular contraction by actomyosin is involved in dermal regeneration, and differences in actin and α-SMA localization may determine the switch between regeneration and scar formation, suggesting potential insights for wound regeneration therapy.
February 2025 in “Journal of Receptors and Signal Transduction” In this study, computational analysis identified EGCG as the most effective GSK3β inhibitor among tested compounds, suggesting its potential for promoting hair regrowth by interacting with signaling pathways related to hair follicle cycling, although further experimental testing is needed.
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.
1 citations
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April 2023 in “Langmuir” This study used molecular dynamics simulations to model the outer surface of human hair, illustrating complex behavior and potential adsorption interactions with fatty acids, which may inform cosmetic formulation development.
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.
This paper introduces the first computational model of male baldness that simulates hair loss using the Hamilton-Norwood classification and has been deemed plausible for clinical use by a dermatologist.