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Main menu for Browse IS/STAG
Course info
KFC / ADD
:
Course description
Department/Unit / Abbreviation
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KFC
/
ADD
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Academic Year
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2024/2025
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Academic Year
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2024/2025
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Title
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Advanced Rational Drug Design
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Form of course completion
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Exam
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Form of course completion
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Exam
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Accredited / Credits
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Yes,
4
Cred.
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Type of completion
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Oral
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Type of completion
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Oral
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Time requirements
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Lecture
2
[Hours/Week]
Seminar
1
[Hours/Week]
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Course credit prior to examination
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Yes
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Course credit prior to examination
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Yes
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Automatic acceptance of credit before examination
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No
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Included in study average
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YES
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Language of instruction
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Czech, English
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Occ/max
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Automatic acceptance of credit before examination
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No
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Summer semester
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0 / -
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0 / -
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0 / -
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Included in study average
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YES
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Winter semester
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0 / -
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0 / -
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0 / -
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Repeated registration
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NO
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Repeated registration
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NO
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Timetable
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Yes
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Semester taught
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Winter semester
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Semester taught
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Winter semester
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Minimum (B + C) students
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not determined
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Optional course |
Yes
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Optional course
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Yes
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Language of instruction
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Czech, English
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Internship duration
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0
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No. of hours of on-premise lessons |
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Evaluation scale |
A|B|C|D|E|F |
Periodicity |
každý rok
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Evaluation scale for credit before examination |
S|N |
Periodicita upřesnění |
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Fundamental theoretical course |
No
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Fundamental course |
No
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Fundamental theoretical course |
No
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Evaluation scale |
A|B|C|D|E|F |
Evaluation scale for credit before examination |
S|N |
Substituted course
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None
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Preclusive courses
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N/A
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Prerequisite courses
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N/A
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Informally recommended courses
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N/A
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Courses depending on this Course
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N/A
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Histogram of students' grades over the years:
Graphic PNG
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XLS
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Course objectives:
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The students will deepen practical skills in in silico drug design.
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Requirements on student
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Short drug design project on the student's suggestion, to show ability to discuss drug design methodology.
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Content
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Drug design is a rather new approach towards rational search for new bioactive compounds. It is consisted from whole range of computational methods, which can be used to pre-select potential compounds for biological screening. Course will be delivered in a series of lectures and also hands-on tutorials to give students the possibility to try discussed methods on their own; 1. Introduction to rational drug design 2. Drug design discovery 3. Pharmacological and physical chemical properties 4. Tutorial: Software - calculation of properties, web applications and databases 5. Pharmaceutical target and structure of biomolecules 6. Tutorial: Visualisation of structure, PDB database, structure files, electron density 7. Docking, molecular mechanics and dynamics 8. Tutorial: Docking and molecular mechanics and dynamics 9. Methods for calculation of binding free energy, IC50, and inhibition constant 10. Tutorial: scoring functions 11. Tutorial: advanced methods for calculation of binding free energy 12. Future challenges in in silico drug design Lecture is follow-up to Radional Drug Design (KFC/DD)
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Activities
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Fields of study
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Guarantors and lecturers
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Literature
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Basic:
Young, D.C. Computational Drug Design. Wiley, 2009.
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Basic:
Krogsgaard-Larsen, P., Stromgaard, K., Madsen, U. Textbook of Drug Design and Discovery (4th Ed.). CRC Press, 2010.
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Recommended:
Abraham, D.J., Rotella, P.R. Burger's Medicinal Chemistry, Drug Discovery and Development (7th edition). Wiley, 2010.
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Recommended:
Young D.C. Computational Chemistry, a Practical Guide for Applying Techniques to Real World Problems. Wiley, 2001.
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Recommended:
Leach AR. Molecular Modelling - Principles and Applications (2 edition). Pearson Education, 2001.
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Recommended:
Alvarez, J. & Shoichet B. (Eds.). Virtual Screening in Drug Discovery. Taylor&Francis, 2005.
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On-line library catalogues
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Time requirements
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All forms of study
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Activities
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Time requirements for activity [h]
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Preparation for the Exam
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60
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Total
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60
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Prerequisites - other information about course preconditions |
Student should be studying master degree or higher. |
Competences acquired |
To describe main methods used in drug design, to use methods on example. |
Teaching methods |
- Monologic Lecture(Interpretation, Training)
- Training in job and motor Skils
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Assessment methods |
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