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    Glossary Molecular Docking

    method predicting how molecules fit and interact together

    Molecular docking is a method used in computational biology to predict how two molecules, such as a drug and its target protein, fit together. Imagine it like a 3D puzzle where scientists use computer simulations to see how well the pieces (molecules) align and interact, which helps in designing effective medications.

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    Research 30 of 1000+

    1. Structural changes in trichocyte keratin intermediate filaments during keratinization Journal of Structural Biology · 2003 · 23 citations
    2. ATOMISTIC CHARACTERIZATION OF HEALTHY AND DAMAGED HAIR SURFACES: A MOLECULAR DYNAMICS STUDY OF FATTY ACIDS ON PROTEIN LAYER ChemBioChem · 2024
    3. Direct evidence supporting the existence of a helical dislocation in protofilament packing in the intermediate filaments of oxidized trichocyte keratin Journal of Structural Biology · 2018 · 3 citations
    4. Natural bioenhancers for dermal delivery: Mechanisms, formulation design and cosmeceutical applications Journal of Drug Delivery Science and Technology · 2026
    5. Synthesis, Crystal Structure and Supramolecular Features of Novel 2,4-Diaminopyrimidine Salts Crystals · 2024 · 5 citations
    6. Crystal Structure of 3-Oxo-4-Aza-5-Alpha-Androstone-17 β-Tert-Butyl Carboxamide with an O···H–(C, N) Acceptor Four-Center Hydrogen Bond Journal of Chemical Crystallography · 2008 · 2 citations
    7. Chapter 2 The Human Keratin Genes and Their Differential Expression 1987 · 126 citations
    8. Molecular Signaling and Nutritional Regulation in the Context of Poultry Feather Growth and Regeneration Frontiers in Physiology · 2020 · 4 citations
    9. Analisis Potensi Hasil Fraksinasi Dari Ekstrak Etanol Daun Pacing (Costus spicatus (Jacq.) Sw.) sebagai Bahan Baku Obat Herbal terhadap Uji Aktivitas Pertumbuhan Rambut Kelinci INSOLOGI Jurnal Sains dan Teknologi · 2025
    10. Stem Cells as a Target for the Delivery of Active Molecules to Skin by Topical Administration International Journal of Molecular Sciences · 2020 · 2 citations
    11. Accessing Properties of Molecular Compounds Involved in Cellular Metabolic Processes with Electron Paramagnetic Resonance, Raman Spectroscopy, and Differential Scanning Calorimetry Molecules · 2023 · 5 citations
    12. Theoretical investigation of the conformational space of baicalin Journal of Molecular Graphics & Modelling · 2017 · 3 citations
    13. Hair follicle differentiation and regulation. The International Journal of Developmental Biology · 2004 · 199 citations
    14. Nanocarrier Systems for Transdermal Drug Delivery InTech eBooks · 2012 · 13 citations
    15. Lipid loses and barrier function modifications of the brown‐to‐white hair transition Skin research and technology · 2019 · 12 citations
    16. The Molecular Architecture for the Intermediate Filaments of Hard<i>α</i>-Keratin Based on the Superlattice Data Obtained from a Study of Mammals Using Synchrotron Fibre Diffraction Biochemistry Research International · 2011 · 7 citations
    17. Potential of the Nano-Encapsulation of Antioxidant Molecules in Wound Healing Applications: An Innovative Strategy to Enhance the Bio-Profile Molecules · 2025 · 6 citations
    18. Active Antialopecia Chemical Identification of Merremia peltata Leaves and Computational Study toward Androgen Receptor Using Molecular Docking and Molecular Dynamic Simulation The Scientific World Journal · 2022 · 4 citations
    19. Molecular Engineering of Recombinant Protein Hydrogels: Programmable Design and Biomedical Applications Gels · 2025 · 3 citations
    20. Understanding the formation mechanism of drug-polymer inclusion complex by structure elucidation and theoretical calculation 2023
    21. Harmonic Vibrational Frequency Simulation of Pharmaceutical Molecules via a Novel Multi-Molecular Fragment Interception Method Molecules · 2023
    22. Exploring the effects of wetting and free fatty acid deposition on an atomistic hair fiber surface model incorporating Keratin Associated Protein 5-1 2022
    23. Structural & functional studies of L-PGDS and SMPDL3A enzymes in lipid signaling family 2019
    24. Development of gene therapy for inner ear disease: Using bilateral vestibular hypofunction as a vehicle for translational research Hearing Research · 2011 · 28 citations
    25. Beneath the surface: dermatology and psychiatry Progress in Neurology and Psychiatry · 2014 · 1 citations
    26. Metabolomic and lipidomic atlas of human hair across its length Communications Biology · 2025
    27. Abstracts from the 17th Congress of the European Society for Dermatology and Psychiatry Acta dermato-venereologica · 2017
    28. The Evolution of Emerging Nanovesicle Technologies for Enhanced Delivery of Molecules into and across the Skin Pharmaceutics · 2024 · 1 citations
    29. Enhancing Permeation of Drug Molecules Across the Skin via Delivery in Nanocarriers: Novel Strategies for Effective Transdermal Applications Frontiers in Bioengineering and Biotechnology · 2021 · 365 citations
    30. Assessment of penetration of Ascorbyl Tetraisopalmitate into biological membranes by molecular dynamics Computers in Biology and Medicine · 2016 · 15 citations