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  • SC853327 :: ชีวเคมีโครงสร้างเชิงคอมพิวเตอร์และการออกแบบยา (2/68)
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    1. Introduction to computational structural biochemistry
    Introduction to computational structural biochemistry slide
    What is a Protein
    Novel Antioxidant Protein Hydrolysates from Mung Bean (Vigna radiate): Structural Elucidation, Antioxidant Activity, and Molecular Docking Study
    Role and structure of the small subunit forming heterodimers with laccase-like enzymes
    2. Enzyme structure and function
    Enzyme structure and function slide
    How Enzymes Work
    UCSF Chimera program
    UCSF Chimera tutorial
    Assignments submission; enzyme structure
    3. Experimental structure determination
    Experimental structure determination slide
    Structural insight into the catalytic mechanism of the bifunctional enzyme L-fucokinase/GDP-fucose pyrophosphorylase
    Assignments submission; experimental structure determination
    4. Structural bioinformatics
    Structural bioinformatics slide
    From DNA to protein
    Deciphering the unique autoregulatory mechanisms and substrate specificity of the understudied DCLK3 kinase linked to neurodegenerative diseases
    5. Protein structure prediction
    Protein structure prediction slide
    Swissmodel
    Assignments submission; protein structure prediction
    6. Protein-Target interactions
    Protein-Target interactions slide
    SwissDock
    SwissDock tutorials
    Example result website
    Output files
    Assignments submission; protein-target interactions
    7. Computational protein design
    Computational protein design slide
    HPEPDOCK
    Input/Output files
    Assignments submission; computational protein design
    8. Introduction to molecular dynamics simulation of protein
    Introduction to MD of protein slide
    Molecular dynamics simulation of the interaction of food proteins with small molecules
    9. Foundations of protein modeling: AI and QSAR approaches
    Foundations of protein modeling: AI and QSAR approaches slide
    Identification of Novel JAK2 Inhibitors from Amino Derivatives of Epoxyalantolactone: In Silico and In Vitro Studies
    AI-Integrated QSAR Modeling for Enhanced Drug Discovery: From Classical Approaches to Deep Learning and Structural Insight
    Assignments submission
    10. Drug discovery and design
    Drug discovery and design slide
    11. Drug target identification and validation
    Drug target identification and validation slide
    Assignments submission
    12. Structure and ligand-based drug design
    Structure and ligand-based drug design slide
    High-throughput screening and characterization of novel inhibitors targeting HIV-1 protease precursor autoprocessing
    13. Virtual screening and lead discovery
    Virtual screening and lead discovery slide
    Structural mechanism of human HCN1 hyperpolarizationactivated channel inhibition by ivabradine
    Assignments submission
    14. Applications of bioinformatics in protein research
    Assignments submission
    Computational approaches to druggable site identification: Current status and future perspective
    15. Presentation
    Assignments submission
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    SC853327 :: ชีวเคมีโครงสร้างเชิงคอมพิวเตอร์และการออกแบบยา (2/68)
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    SC853327 :: ชีวเคมีโครงสร้างเชิงคอมพิวเตอร์และการออกแบบยา (2/68)

    • Teacher: อ.กมลพรรณ เสนาชัย
    Skill Level: Beginner

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