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_ Why is Molecular Modeling Important?_=_
    
 Table of Contents
 • Introductory Comments
 •What is Molecular Modeling?
 • Why is Molecular Modeling Important?
 •What do some common molecules look like?
 •Where's the Math?
 •Carbon 3 Ways
 • Carbon Compounds
 •Water and Ice
 •Water and Ice pt.II
 • How to view structures in class or at home
 • MathMol Library of Structures.
 •Tutorial 1: 1-Dimension, 2-Dimensions, 3-Dimensions...
 •Tutorial2: The Geometry of 2 Dimensions..
 •Tutorial3: The Geometry of 3- Dimensions
 •Tutorial4: The Geometry of Molecules.
 •Appendix1: Scientific Notation
 • Appendix 2: Mass
 • Appendix3: Volume
 • Appendix4: Density

 

 

Designing Drugs for the Future:

By the time many of today's students enter the workforce, career opportunities will have radically changed. In April of 2003 the Human Genome Project culminated in the completion of the full human genome. The National Human Genome Research Institute now must move forward into the genomic era with research aimed at improving human health and fighting disease.

Using molecular modeling scientists will be better able to design new and more potent drugs against diseases such as Cancer, AIDS, and Arthritis.

Shown to the Left: The 3D structure of a protein drug target. Using the crystallographic structure fo a protein, Syrrx (a drug design company) used computational methods to design a small molecule drug (shown in green) that can inhibit the disease-causing activity of the protein.

Designing New Materials:

Molecular modeling not only has the potential to bring new drugs to the market, but a vast array of new materials. The discovery of fullerenes, nanotubes...

[To view the BuckyTube in 3-D click here]

...and superconducting cuprates (as well as other complex inorganic compounds), are expected to produce new materials in the optics, ceramic, semiconductor and biomaterials markets.

 Artificial Photosynthesis :

5K Image In addition, recent structural determination of vital photosynthetic proteins will lead the way to artificial photosynthesis.

 



 

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