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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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