Computer Molecular Biology and Medicine

2024/2025

Учебный год

ENG

Обучение ведется на английском языке

6

Кредиты

Кто читает:

Департамент прикладной математики

Статус:

Курс обязательный

Когда читается:

1-й курс, 1, 2 модуль

Преподаватель

Ефремов Роман Гербертович

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