Computer Molecular Biology and Medicine

2024/2025

Academic Year

ENG

Instruction in English

6

ECTS credits

Delivered at:

School of Applied Mathematics

Course type:

Compulsory course

When:

1 year, 1, 2 module

Instructor

Efremov, Roman

Course Syllabus

Abstract

The course covers: basic physical principles of molecular simulations, mathematical algorithms and computationalprotocols employed to study supramolecular biological objects in the framework of classicalmechanics and empirical force fields; the methods of molecular mechanics, molecular dynamics, Monte Carlo,structuralbioinformatics and molecular docking along with their theoretical foundations and employedphysical models and mathematical algorithms; -Combined approaches to rational design of computational experiments with the help of in silicotechnologies; efficient application of the macroscopic approximation and classical mechanics in detailedanalysis of complex microscopic phenomena –individual molecules and their ensembles