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
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
Simulating the encounter
A single cell caught up in the flow of blood, air, or water often depends on its ability to latch onto passing surfaces—in short, its ability to stick. That’s why researchers in Germany...
Apr, 01, 2007
Gene therapy to correct inherited illnesses hinges on successful delivery of DNA into a person’s cells. Most gene therapists work with viruses to ferry their DNA cargo. Yet the body tends to...
Oct, 01, 2009
Advances in computational power and algorithms have led to longer and more accurate molecular dynamics simulations of protein folding. But these approaches, because they are computationally intensive...
Jun, 06, 2012
Using computation, researchers narrow the search space for directed evolution; guide mutagenesis; and create de novo enzymes
Enzymes are among nature’s crowning achievements: they accelerate chemical reactions, making life possible. People have co-opted natural enzymes for industrial use for thousands of years (think...
Feb, 19, 2013
How increased coverage of the structure space is transforming the field of biology
When the human genome was completely sequenced in 2003, researchers were already pondering how biomedicine could make use of it. One hope was that the sequences would lead to a greater...
Jan, 01, 2010
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