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Principles of molecular modeling

Вибіркова дисципліна для ОП

First

2021/2022

6 Semester

3

PR03. Use theories and laws of mathematics, physics, chemistry and other sciences to solve problems of modern biology. PR04. Understand the basic terms, concepts, principles, theories and laws in the field of biological sciences and on the boundaries of subject areas. PR05. Use knowledge and demonstrate compliance with the provisions of biological ethics, biological safety and biological protection. PR07. Demonstrate knowledge of the structural organization of biological systems at the molecular level of the organization. PR15. Apply in professional activities methods for determining the structural and functional characteristics of biological systems at different levels of the organization. PR17. Through self-study to master new knowledge and modern methods of experimental research to solve problems of biology. PR21. Solve applied problems of biology appropriate methods. PR23.1. Possess (modern) basic biophysical methods in biological research.

Full-time form

1. Successful mastering of courses "Physics", "Molecular Biology", "Modern Information Technology". 2. To know: theoretical and practical bases of application of physical methods in biological and medical researches, the general course of physics and the mathematical analysis; 3. Have: skills of modern information technology.

The discipline "Principles of Molecular Modeling" is taught in the 6th semester to undergraduate students of the 3rd year studying at the Department of Biophysics and Medical Informatics. During the study of the course much attention is paid to the formation of students' ideas about the principles and approaches to modeling the biophysical properties of various molecular systems. The subject "Principles of Molecular Modeling" covers the study of systems approaches to understanding and studying the principles of software and ways to perform biophysical analysis of molecular systems using a computer. During the study of the discipline much attention is paid to the practical application of such approaches to solve specific computational problems.

1. Prylutskyy YI, Durov SS, Ogloblya OV, Buzaneva EV, Scharff P. Molecular dynamics simulation of mechanical, vibrational and electronic properties of carbon nanotubes. Computational Materials Science. 2000. 17 (2-4).P. 352-355 2. Makarets MV, Prylutskyy YI, Ogloblya OV, Carta-Abelmann L, Scharff P. Computer simulation of supported C60 fullerenes fragmentation by particle beam. Carbon. 2004. 42 (5-6). P. 987-990. 3. Prylutsky YI, Ogloblya OV, Scharff P. Computer modelling of the optical absorption spectrum of single-walled carbon nanotube bundles. Ukr. J. Phys. 2004. 49. P. A17-A20 4. Gabriel Bidaux, Miriam Sgobba, Loic Lemonnier, Anne-Sophie Borowiec, Lucile Noyer, Srdan Jovanovic, Alexander V Zholos, Shozeb Haider. Functional and modeling studies of the transmembrane region of the TRPM8 channel. G Bidaux, M Sgobba, L Lemonnier, AS Borowiec, L Noyer, S Jovanovic. Biophysical Journal. 2015. 109 (9). P.1840-1851

Lecture Individual work

Semester assessment: 1. Modular test 1 RN 1.1- 1.3 (Section 1) - 30 points / 15 points 2. Modular test 2 RN 2.1- 2.3 (Section 2) - 30 points / 15 points 3. Reports on independent work RN 2.1- 3.1 - 30 points / 15 points 4. Oral answers and additions RN 2.1 - 3.1 - 10 points / 5 points - final assessment: in the form of a test

Ukrainian