Computational Drug Design
Course: Biomedical Physics, Engineering and Informatics
Structural unit: Faculty of Radiophysics, Electronics and Computer Systems
Title
Computational Drug Design
Code
ВБ.2.05
Module type
Вибіркова дисципліна для ОП
Educational cycle
Second
Year of study when the component is delivered
2021/2022
Semester/trimester when the component is delivered
3 Semester
Number of ECTS credits allocated
3
Learning outcomes
Student should know the basis of computer molecular modeling.
Student should be able to apply the basis of computer molecular modeling for tasks of computer aided drug design.
Form of study
Full-time form
Prerequisites and co-requisites
Student should know basics of molecular physics, quantum mechanics and mathematics disciplines in the range of applied physics bachelor program.
Student should be able to solve tasks in quantum mechanics and molecular physics using appropriate mathematics.
Course content
Basics of quantum mechanical, semi-classical and classical methods of electronic structure calculation, modeling of molecular geometry, application of these methods for computer aided drug design and other molecular modeling tasks are given.
Recommended or required reading and other learning resources/tools
1. A. Szabo, N. S. Ostlund Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory. Dover Publications, 1996, 465 pp.
2. K. Burk. The ABC of DFT. http://dft.rutgers.edu/kieron/beta cit. 01.05.2008
3. H. Bruus, K. Flensberg Many-body Quantum Theory In Condensed Matter Physics. - Oxford Univ Pr. – 2004, 435 pp.
Planned learning activities and teaching methods
Lectures 18 hours
Assessment methods and criteria
Semester score: semester has two modules. Written module test is hold after each module up to 30 points. Final score: in the form of written exam up to 40 points. The condition of successful grade is not less than 60 points in total.
Language of instruction
ukrainian
Lecturers
This discipline is taught by the following teachers
Oleksandr
Oleksandrovych
Sudakov
Department of Medical Radiophysics
Faculty of Radiophysics, Electronics and Computer Systems
Faculty of Radiophysics, Electronics and Computer Systems
Volodymyr
Ivanovych
Vysotskyy
Department of mathematics and Theoretical Radio Physics
Faculty of Radiophysics, Electronics and Computer Systems
Faculty of Radiophysics, Electronics and Computer Systems
Departments
The following departments are involved in teaching the above discipline
Department of Medical Radiophysics
Faculty of Radiophysics, Electronics and Computer Systems
Department of mathematics and Theoretical Radio Physics
Faculty of Radiophysics, Electronics and Computer Systems