How errors in data, software, and methodology can teach us how to do better
In 2006, a paper in Nature Medicine suggested a novel and potentially revolutionary method for predicting patient responses to cancer therapies using gene signatures. The finding piqued the interest...
Sep, 01, 2011
As algorithms evolve, computing power explodes, and scientists solve a greater number of 3-D protein structures, computer-aided design has the potential to dramatically cut the cost and time of drug discovery
Once upon a time, not long ago, HIV/AIDS was a scourge, killing anyone who contracted the deadly virus. Now, many people are living with the disease, which they control with drugs initially developed...
Jul, 01, 2007
Computation can speed up the time it takes to find new binding partners for old drugs
When cheap drugs are needed fast, researchers and drug companies are increasingly turning to an interesting short-cut: repurposing existing drugs for new uses. Because drugs exert multiple actions in...
Apr, 01, 2011
A computer algorithm manipulates antibodies to predict which forms will bind their targets more tightly
The word “antibody” conjures images of our bodies fighting off bacteria and viruses. But because they can latch onto their targets with great precision, antibodies are also used to treat...
Jan, 01, 2008
Computational modeling can help fill gaps in how we develop and review new drugs and devices
What role does computational modeling play at the United States Food and Drug Administration (FDA)? If you ask Paul Watkins, MD, director of the Hamner—University of North Carolina...
Sep, 01, 2011
Connectivity Map helps connect drugs and diseases
Normal cells, diseased cells and cells on drugs share a common language: They all produce their own patterns of gene expression. And the patterns can be compared in useful ways—given a disease...
Jan, 01, 2007
Computation offers a window into a disease often described as a black box
The growing threats of multi-drug resistant (MDR) and extensively drug resistant (XDR) tuberculosis (TB) are spurring worldwide interest in faster and more innovative research approaches, such as...
Jun, 06, 2012
Many new drugs carry a risk that they will cause more problems than they cure. That’s because a drug intended to bind one protein might also bind others. In an effort to address that problem,...
Apr, 01, 2008
Molecular dynamics simulations spot alternative drug target
A blindside attack on HIV-1 protease might just combat drug-resistant strains of HIV, according to simulations run by researchers at the University of California, San Diego. When the simulations shut...
Oct, 01, 2010
The antiviral drugs Tamiflu and Relenza target a key flu protein—neuraminidase—preventing it from doing its job of releasing virus particles from infected cells into the body. The type of...
Jul, 01, 2009
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