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  • Course Information
    • Course Title Code Semester Laboratory+Practice (Hour) Pool Type ECTS
    Cheminformatic KİM535 FALL-SPRING 3+0 University E 6
    Learning Outcomes
    1-Explains the use of chemoinformatics in modern drug research
    2-Explains available techniques, software and web resources for chemoinformatics
    3-Compares different chemoinformatics methods
    Prerequisites -
    Language of Instruction Turkish
    Responsible Assoc. Prof. Dr. Şevki ADEM
    Instructors

    1-)Profesör Dr Şevki Adem
    Assistants -
    Resources R1. Engel, T., & Gasteiger, J. (2018). Applied chemoinformatics: achievements and future opportunities: John Wiley & Sons. R2. Bajorath, J., Morales, G., Siesel, B., & Bunin, B. (2007). Chemoinformatics: Theory, Practice, & Products. In: Springer. R3. Leszczynski, J. (2012). Handbook of computational chemistry: Springer Science & Business Media. Cham, Switzerland 4. de Azevedo Jr, W. F. (2019). Docking Screens for Drug Discovery: Springer. New York, U.S.A. 5. Gasteiger, J., & Engel, T. (2018). Applied Chemoinformatics: Achievements and Future Opportunities: Wiley-VCH Verlag GmBH.
    Supplementary Book -
    Goals The course objectives are to introduce students to different chemoinformatics methods, provide examples on the use of chemoinformatics in modern drug research, and allow the students to gain practical experience through exercises with representative methods used in chemoinformatics.
    Content The importance of computational approaches in biochemistry and design of new drugs. Calculation and presentation of different physical properties of small molecules. Analyzes of structural domains, active sites, and surface shapes, electrostatic potentials, and hydrophobicity. Analyzes the structures of different proteins and associated structural elements.
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