Chemistry 901

Molecular Modeling and Computational Chemistry

as given Fall Quarter 1995

Laboratory sessions are scheduled for 2:30 - 6:00.

Open laboratory sessions are available on Wednesday afternoons 2:30 - 5:30.

Lectures are 2:20-3:10 (M,W,F) except when full period is used for lab.

   DATE                      TOPIC [instructor]                
   Sept. 18 (M)   Molecular Structure:  Experimental [Allinger]
		  and Theoretical Treatments

   Sept. 20 (W)   Molecular Mechanics:  History and [Allinger]
		  Potential Functions

   Sept. 22 (F)   Experimental Methods. [Allinger]
		  Electron & X-ray Diffracion
		  The Vibration Problem

   Sept. 25 (M)   Molecular Mechanics.  Agreement [Allinger]
		  with Experiment. Spectroscopy

   Sept. 27 (W)   Minimization Methods [Allinger]

   Sept. 29 (F)   MM2 Program (MM2 minimizations) [Allinger]
		  Laboratory (Introduction) [T. A.]

   Oct. 2 (M)     Laboratory (MM3 Exercises) [T. A.]

   Oct. 4 (W)     Laboratory (MM3 Exercises) [T. A.]

   Oct. 6 (F)     Introduction to Computer Graphics [T. A.]

   Oct. 9 (M)     MM3:  The Next Step/Spectroscopy [Allinger]

   Oct. 11 (W)    More on MM3: [Allinger]

   Oct. 13 (F)    Laboratory (MM3 Exercises) [T. A.]

   Oct. 16 (M)    Delocalized Electronic Systems/ [Allinger]
		  Electrostatics

   Oct. 18 (W)    Conformational Analysis [Allinger]

   Oct. 20 (F)    Introduction to Protein Structure [Wampler]
		  and the Structure Data Base

   Oct. 23 (M)    Protein Structure & Molecular Mechanics [Wampler]

   Oct. 25 (W)    Surfaces and Electrostatic Potentials [Wampler]

   Oct. 27 (F)    Laboratory (Browsing data bases; [T. A.]
		  Building and Examining Protein Structures;
		  exercises in peptide minimization)

   Oct. 30 (M)    Protein Force Fields & Electrostatic [Wampler]
		  Parameters

   Nov. 1  (W)    Solvation and Water Models [Wampler]

   Nov. 3 (F)     Mid Term Examination [T. A.]

   Nov. 6 (M)     Protein Force Field Calculations [Wampler]

   Nov. 8 (W)     Static Analysis and Structure Comparisons [Wampler]

   Nov. 10 (F)    Laboratory (Homology Modeling) [T. A.]

   Nov. 13 (M)    Introduction to Molecular Dynamics [Wampler]

   Nov. 15 (W)    Molecular Dynamics [Wampler]

   Nov. 17 (F)    Laboratory (Peptide Dynamics) [T. A.]

   Nov. 20-24     THANKSGIVING BREAK

   Nov. 27 (M)    Molecular Dynamics & Free Energy [Wampler]

   Nov. 29 (W)    Parameters for Cofactors & Metals [Wampler]

   Dec. 1  (F)    Hybrid Methods & Other Calculations [Wampler]

   Dec. 4 (M)     FINAL EXAM (8:00 am - 11:00 am)