2024/2025
Computer Molecular Biology and Medicine
Type:
Mago-Lego
Delivered by:
School of Applied Mathematics
When:
1, 2 module
Open to:
students of all HSE University campuses
Instructors:
Roman Efremov
Language:
English
ECTS credits:
6
Contact hours:
60
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