"Computing Life" in PDFComputing Chemistry
Computers + Chemists = Improved Health
What do you get when you mix computers and chemists? A host of new medicines, new materials and a deeper understanding of all the chemicals in and around us. From understanding how molecules work inside our bodies to engineering better ways to make products we consume, computers play a crucial role in the chemistry of health. For example, drug chemists are using a suite of computational tools to improve the many steps of drug discovery, speeding the delivery of cheaper and more effective medicines to a drug store near you.
Web Exclusives
Computation Aids Drug Discovery | 8/29/2012
Learn about different computational approaches that aid the design of new drugs.
Understanding Gene-Drug Interactions | 4/19/12
A computational biologist is using computing technology to better understand how genes can affect the body's response to medicines as well as how those medicines interact with each other.
The Legacy of John Pople | 1/27/11
A Nobel Prize-winning computational approach has helped chemists learn about the structures and properties of molecules.
Predicting Side Effects and Repurposing Drugs | 11/16/09
Scientists search for drugs' close contacts inside the body and predict unwanted interactions.
New Drugs: Getting More Out of Nature | 7/16/09
Computational tools could make it easier to turn natural compounds collected in oceans and forests into candidates for drug development.
Virtual Screening Leads to Real Progress in Drug Design | 10/28/08
Researchers develop a new computational approach that screens molecules to find potential drugs for treating sleeping sickness.
Now Open for Drug Chemistry | Date: 10/10/08
By getting back to the basics, a new project plans to give computer-aided drug design a boost.
Q&A: Gus Rosania on Virtual Drug Development | 8/13/2008
Pharmaceutical scientist Gus Rosania studies how small molecules, like those found in oral medications, produce the desired effect.
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