BIOINF 2052
Introduction to Computational Structural Biology
Spring 2002

Click here for Syllabus

Dr. Hagai Meirovitch and Dr. Ivet Bahar
W1041 Biomedical Science Tower
200 Lothrop Street

Part 1:  Hagai Meirovitch - Lecture.ppt
 

Lecture Date

Lecture Notes

Lecture Topic

 

 

 

March 1

Lecture 1   General References

Course Outline

March 12

Lecture 2

Conformations: Models and Definitions

(see Erratum below)

March 15

Lecture 3

Structural & Functional Properties of Proteins

March 19

Lecture 4

Atomic Structure of Proteins

March 27

Lecture 5a   Lecture 5b

Protein Conformation

March 29

Lecture 6

Miyazawa & Jernigan, 1996, JMB
Residue-specific empirical potentials

Energetics: Interaction Potentials (I)

 April 2

 Lecture 7    Homework 3

Table IV.6.1

Energetics: Interaction Potentials (II)

 April 5

Lecture 8 (ppt)   (pdf)

Molecular Dynamics (MD) Simulations
April 9 Lecture 8.1 (ppt)   (pdf) Trajectory Analysis

 April 16

Lecture 9

Solvation Thermodynamics

 April 18

Bahar et al., 1997, Biochemistry  

Monte Carlo (MC) Simulations

 April 23

Lecture 10
Phi-Value Analysis

Folding Kinetics

 April 26

Lecture 11
Protein Folding Kinetics

Kinetic Modeling
Lecture 12 Topology-based models
Lecture 13 Protein Structure Prediction

Lecture 2 Erratum

 

University of Pittsburgh ---------- School of Medicine
W1041 Biomedical Science Tower  200 Lothrop St., Pittsburgh, PA 15261.     Phone : (412) 648-3333,  Fax: (412) 648-3163

Tel : (412) 648-6671,  Fax: (412) 648-6676