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
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
Modelers are using recent gains in computational power to consider the complex interactions of hundreds or thousands of macromolecules at once--a necessary first step toward whole cell simulation
Molecules in cells behave like people in crowded subway cars. Because they can barely budge or stretch out without bumping into a neighbor, they move more slowly, smush themselves into more compact...
Apr, 01, 2011
Postdocs get a glance at the entire field and their first inside view of NIH grant-making
If he were a graduate student now, Francis Collins would be studying computational biology. That’s what the Director of the National Institutes of Health (NIH) told a rapt audience at the...
Feb, 19, 2013
Supercomputers open up new horizons, offering the possibility of discovering new ways to understand life’s complexity
Their very names sound like dinosaurs. Teracomputers. Petacomputers. These are, in fact, the dinosaurs of the digital world—monstrous, hungry and powerful. But unlike the extinct...
Oct, 01, 2006
They're more than just pretty pictures adorning office walls and presentation slides. Beamed into operating room computer monitors, they're guiding the scalpels of brain surgeons. Dancing...
Jan, 01, 2012
How Simbios' state-of-the-art software tools are contributing to high-impact biomedical research
Simbios began with a simple idea: that physics-based simulation of biological structures at all scales could benefit from a
unified tool-building effort.
At the same time, the thinking went,...
Oct, 01, 2009
Despite their identical genomes, cells in the body develop distinct personalities—become neurons or liver cells, for instance—due to differences in gene expression. The mechanism that...
Apr, 01, 2009
Where simulation and theory converge
For decades, scientists have believed that DNA of short lengths (150 base pairs or fewer) behaves as a relatively stiff rod—able to quiver a bit, but rarely forming a circle or tight angle...
Apr, 01, 2007
The Millisecond is Attained!
Scientists have now simulated protein folding at a timescale that begins to be relevant to biology: the millisecond. Indeed, the simulation busted through the millisecond time barrier to tackle the...
Apr, 01, 2010