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Life in Motion: Simulation from Particles to People

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
Flowing through the Interactome
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
Normal Mode Analysis: Calculation of the Natural Motions of Proteins
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
Bringing Supercomputers to Life (Sciences)

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
Resolution Limits of Optical Microscopy and the Mind

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...
fluorescence, microscopy
Sep, 01, 2011
The Microbiome: Dealing with the Data Deluge

Bioinformatics and computational biology enable microbiome research

This past June, 200 members of the NIH-funded Human Microbiome Project (HMP) Consortium published a slew of papers offering fresh insights into the role microbial communities play in the human body...
JGI, microbiome
Oct, 22, 2012
Computing the Ravages of Time: Using Algorithms To Tackle Alzheimer’s Disease

Biomarker research, genetics, and imaging are all coming into play

In 1906, at a small medical meeting in Tübingen, Germany, physician Alois Alzheimer gave a now-famous presentation about a puzzling patient. At age 51, Auguste D.’s memory was failing...
Oct, 01, 2007
LIFE IS CROWDED: Modeling the Cell's Interior

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...
crowding, macromolecule, molecular dynamics
Apr, 01, 2011
Swine Dynamics
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
Matters of Time: Tick Tock Go the Simulations

Computing using time steps -- a necessary approximation

Time flows like a continuous, steady river. And it moves forward—never back. These facts create inherent challenges for computer simulations of biological molecules in motion.   It would...
molecular dynamics, timesteps
Jun, 19, 2013
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