BCMB/CHEM 8200 Molecular Modeling and Structure Computations

Coordinator: Dr. R. Woods (2-4454)
Office hours: Wed and Fri only 9:30 AM - 11:30 AM
Contributor: Dr. John E. Wampler (2-1573)
Office Hours: Mon and Fri only 10:00 AM - 12:00 AM
For an office hours appointment please use e-mail:
Dr. Wampler: wampler@bmb.uga.edu Dr. Woods: rwoods@ccrc.uga.edu Tuesdays and Thursdays (9:30-10:45)------- Chemistry Room 557 (MGL)
Text: Molecular Modeling Principles and Applications
Author: A. R. Leach, Longman Press, 1998


GRADING:
               Assigned Labs (4) 5%/each                Exam #1 35%
               Research Presentation 25%                Exam #2 20%

CLASS SCHEDULE


   January 2000                   Tuesday Class                               Thursday Class
 S  M Tu  W Th  F  S
                   1   
 2  3  4  5  6  7  8                                                          
 9 10 11 12 13 14 15       1st class  Introduction (Woods)              Different Concepts of Molecular Structure(Wampler)
16*17 18 19 20 21 22       Size Matters (Wampler)                       Intra- and Inter-molecular Forces (Wampler)
23 24 25 26 27 28 29       H-Bonds and Biochemistry (Wampler)           Lab #1
30 31                        

   February 2000          
 S  M Tu  W Th  F  S      
       1  2  3  4  5       Molecular Mechanics Force Fields (Wampler)   What can you do with a Force Field (Wampler)                         
 6  7  8  9 10 11 12       Energy Minimization Methods(Wampler)         Lab #2                                                        
13 14 15 16 17 18 19       Where do the parameters come from?(Wampler)  Parameters, cont. (Wampler)                                     
20 21 22 23 24 25 26       Water Models and Solvation(Wampler)          Lab #3                                               
27 28 29                   EXAM     

   March 2000              
 S  M Tu  W Th  F  S       
          1**2  3  4                                                    Simulation Methods (Woods)                           
 5  6  7  8  9 10 11       ***
12 13 14 15 16 17 18       MD Simulations(Woods)             
19 20 21 22 23 24 25       Free Energy Simulations (Woods)              Exam #2
26 27 28 29 30 31          Homology Modeling (MD versus MM) (Woods)     Protein-Ligand Docking (Woods)

   April 2000             
 S  M Tu  W Th  F  S
                   1                                                            
 2  3  4  5  6  7  8       Lab #4                                       Research Project Assignments
 9 10 11 12 13 14 15       Research Project (Lab)                       Research Project (Lab)
16 17 18 19 20 21 22       Research Project (Lab)                       Research Project (Lab)      
23 24 25 26 27 28 29       Research Presentations                       Research Presentations
30

   May 2000               
 S  M Tu  W Th  F  S      
   #1  2  3  4  5  6       May 3-5 Exams
 7  8  9                   May 8-9 Exams, Grades due Friday, May 12

* Jan 17 = MLK day
** Mar 1 = Mid Point
*** Mar 4-12 = Spring Break
# May 1 = last day of classes

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