Course Information

Course Name	Turkish	Biyolojik Sistemlerde Modelleme
	English	Modelling in Biological System
Course Code	BIO 441E	Credit	Lecture (hour/week)	Recitation (hour/week)	Laboratory (hour/week)
Semester	-	3	3	-	-
Course Language		English
Course Coordinator		Bülent Balta
Course Objectives		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
Course Description		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
Course Outcomes		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
Pre-requisite(s)		BIO 341 MIN DD veya BIO 341E MIN DD
Required Facilities
Other
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