Infopaket

Computational biology

ДВС.1.01.02

Вибіркова дисципліна для ОП

Second

2023/2024

3 Semester

4

The ability to build adequate models of chemical phenomena, to study them for obtaining new conclusions and deepening of understanding of nature, including using methods molecular, mathematical and computer modeling. Ability to organize, plan and implement a chemical experiment. The ability to interpret, objectively evaluate and present the results of one's work research. The ability to formulate new hypotheses and scientific problems in the field of chemistry, to choose directions and appropriate methods for their solution based on an understanding of modern issues research in the field of chemistry and taking into account the available resources. The ability to choose optimal research methods and techniques. Possession of the general methodology of carrying out scientific research.

Full-time form

1. Know the basic concepts of the theory of quantum mechanics and the basics of chemistry, the main regularities courses in optics, electronics, atomic and nuclear physics. 2. To be able to apply basic methods of applied quantum mechanics and chemistry. 3. To have the basic apparatus of linear algebra and tensor analysis, basics programming and algorithmization. 4. To know the basics of organic chemistry and biochemistry.

The subject of the educational discipline "Computational Biology" is the study of structural and dynamic properties of the main classes of biopolymers using modern calculation methods. The course examines in detail the most common approaches to the study of spatial structure, structural and dynamic properties of the main classes of biopolymers, their main physico-chemical properties foundations of functioning and conformational changes by ab initio methods.

1. Davidovska T.L., Tsymbalyuk O.V., Voyteshenko I.S., Grabchuk H.P. etc. Physics of biosystems, COMPRINT, 2016 2. Vakarchuk I. O. Quantum mechanics: textbook / I. O. Vakarchuk. 4th ed., add. Lviv: LNU named after Ivan Franko, 2012. 872 p 3. Foresman J.B. Exploring chemistry with electronic structure methods. 2nd edition / J. B. Foresman, A. Frisch. - Gaussian, Inc., Pittsburgh, PA, 1996. - 302 p.

lectures, laboratory

semester evaluation: 1. Control work: RN 1.1 - 20 points/10 points. 2. Reports on laboratory work: RN 2.1. - 20 points/10 points. 3. Independent semester work: RN 4.1 - 20 points/10 points. - final evaluation in the form of differentiated credit: - Written assessment: Text tasks 20 questions for 2 points each (40 points/0 points, evaluated by the RN 1.1).

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