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Dersin Bilgileri

Dersin Adı
Türkçe Biyolojik Sistemlerde Modelleme
İngilizce Modelling in Biological System
Dersin Kodu
BIO 441E Kredi Ders
(saat/hafta)
Uygulama
(saat/hafta)
Labratuvar
(saat/hafta)
Dönem -
3 3 - -
Dersin Dili İngilizce
Dersin Koordinatörü Bülent Balta
Dersin Amaçları 1 - To teach the basics of the quantum mechanics and molecular mechanics methods
2 - To model the structures and reactions of small molecules of biological importance using quantum methods
3 - To study the structures and dynamics of biological macromolecules using molecular dynamics simulations
Dersin Tanımı Basic concepts of quantum mechanics; application of quantum mechanics to molecular systems (semi empirical, ab initio, DFT methods); molecular mechanics methods, molecular dynamics simulations, Monte Carlo simulation, conformational analysis, calculation of the geometries and energies of stable molecules and transition structures
Dersin Çıktıları 1 - Various geometry optimization algorithms
2 - Basics of the quantum mechanics
3 - Semi empirical, ab initio, DFT methods
4 - Calculation of the structures, reaction energies, activation energies in molecular systems
5 - Calculation of the molecular properties such as IR frequencies and charge distributions
6 - Basics of molecular mechanics methods
7 - Studying conformational behaviors of proteins using molecular dynamics simulations
8 - Monte Carlo simulations
Önkoşullar BIO 341 MIN DD
veya BIO 341E MIN DD
Gereken Olanaklar
Diğer
Ders Kitabı
Diğer Referanslar
 
 
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