C372

Molecular Modeling

Dr. Kelsey Forsythe, Office: LD 320; Phone: 278-2202; Email: forsythe@chem.iupui.edu, Office Hours TBA and by appointment

Text: Molecular Modeling:Basic Principles and Applications, H.-D. Holtje, W. Sippl, D. Rognan and G. Folkers, Wiley-VCH (2003)

Supplemental Texts (on reserve):

Organic Chemistry, Carey, F. A., McGraw-Hill (2003)

Spartan Õ04: Tutorial and Users Guide

Course Structure: Lecture (CHEM-C 372, 1 cr.) + Lab (CHEM-C 496, 1cr.) = 2 credits

NOTE: CHEM-C 496 is NOT required

Grades and Point Distribution:

            Labs                                                                               250

            Homework (C 372 only)                                                100

            Mid Term                                                                         50

            Final Exam                                                                    100

Course Objective:  Introduce students to elementary molecular modeling by illustrating applications to organic chemistry and biochemistry.  Students will use computers to visualize molecules with emphasis on energy optimization, intermolecular forces, discerning structure-activity relationships, basic docking and introductory sequence alignment techniques.

SCHEDULE