A combination of genomics data and molecular dynamics modeling is sufficient to predict protein complex structure
The zone where two proteins interact presents a possible target for drug design. But identifying possible drugs requires a detailed understanding of the interface between the proteins. Computer...
Apr, 01, 2010
Structure-prediction algorithm searches for most likely conformation
If you want to find a Tab ‘A’ that will fit into a Slot ‘B’, you’ll waste a lot of time if you don’t know the shape of the slot. For scientists trying to design...
Jul, 01, 2006
A model of chromatin explores how it folds and unfolds
To fit an organism’s DNA into a single cell, it has to be tightly compacted, first wound around proteins to form chromatin fibers, then further coiled into chromosomes. Computer simulations by...
Sep, 01, 2005
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
Computational simulations of life in motion at every scale—molecular, cellular, tissue-level, and whole organism—are boosting our understanding of the role mechanics plays in controlling life.
From atoms and molecules to insects, dinosaurs, and humans, computational researchers are finding that much of life can be understood in mechanical terms. Indeed, the machines of life are...
Jan, 01, 2008
High-throughput experimental methods are widely used today to identify genes and proteins involved in a particular process, but not all molecules in a pathway can be identified in this manner. To...
Jul, 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
OpenSim 2.0 promises greater opportunities for customization
With its initial release two years ago, OpenSim offered researchers a powerful open-source application for simulating movement. Simple enough to be used by high school students yet advanced enough to...
Jan, 01, 2010
"Fold-It" players find best protein conformations to fight cancer
When it comes to folding proteins, even modern supercomputers don’t always get things exactly right. Enter FoldIt, an online video game that harnesses the human brain’s natural pattern-...
Jan, 01, 2010
How precise an image can fluorescence microscopy provide?
As modern optics and cell biology have flourished in recent years, they’ve each driven innovation in the other. Yet commonly employed imaging techniques, such as fluorescence microscopy, have...
Sep, 01, 2011