Course Description
The courses (Part I, II and III) are designed to serve as an introduction to computational methods for molecular modeling of biological systems such as proteins and nucleic acids. The courses are for seniors and graduate students who are interested in studying biological systems at the molecular level. The goal is to provide a general overview of computational quantum chemistry (Part I), molecular mechanics (Part II), and a combined QM/MM method (Part III) as applied to molecules of biological interest. Prerequisites for Part III are Part I and Part II.
Instructor: Dr. Marek Freindorf
Location: Room 335, Chemistry Department, NSC Building
Credits: 3, Lec
Course Number: 512
Offering: Spring Semester 2008, Fridays 2:00pm-4:30pm
Course Materials
On-line Resources (please notice that bigger files require a longer downloading time, if you have a problem opening a file use Internet Explorer):
Syllabus [PDF-format ]
Flyer [PDF-format ] (Note: 3mb download)
Quantum Mechanics (QM) [Theory of quantum chemistry, PDF-format ] (Note: 34 mb download)
Molecular Mechanics (MM) [Theory of molecular mechanics, PDF-format ] (Note: 44 mb download)
Combined (QM-MM) Method [Theory of combined QM-MM methods, PDF-format ] (Note: 13 mb download)
Introduction [Current lecture notes, PDF-format ] (Note: 33 mb download)
Examples (QM) [Examples used in the lectures, PDF-format ] (Note: 74 mb download)
Examples (MM) [Examples used in the lectures, PDF-format ] (Note: 41 mb download)
Examples (QM-MM) [Examples used in the lectures, PDF-format ] (Note: 41 mb download)
Tasks (QM) [Short computational exercises for students, PDF-format ] (Note: 30 mb download)
Tasks (MM) [Short computational exercises for students, PDF-format ] (Note: 52 mb download)
Tasks (QM-MM) [Short computational exercises for students, PDF-format ] (Note: 18 mb download)
Projects [Large computational projects for students, PDF-format ] (Note: 47 mb download)
Utilities [Utility programs used in the lectures, PDF-format ] (Note: 30 mb download)
Quick Reference Guides [Very short guides used in the lectures, PDF-format ] (Note: 6 mb download)
Contact Information
Dr. Marek Freindorf
Phone: 716-881-8962