Featured Research

from universities, journals, and other organizations

Quantum Leap In Protein Folding Calculations

Date:
September 20, 2006
Source:
American Physical Society
Summary:
Applying techniques derived from classical and quantum physics calculations may radically reduce the time it takes to simulate the way that proteins fold.

Applying techniques derived from classical and quantum physics calculations may radically reduce the time it takes to simulate the way that proteins fold.

It's vital to understand the shapes that proteins take on as they fold up because the shapes determine how they function, both in keeping cells running and in leading to various diseases.

Rather than calculating the motions of a protein molecule step by step, as most simulations do, a team of Italian and French physicists studied the evolution of a molecule using variational principles. The technique allowed the physicists to evaluate all the possible paths that the molecule's parts would follow and then pick out the most likely one.

As a result, they expect to streamline protein folding calculations from trillions of steps to hundreds. The improvement is significant because conventional protein folding simulations that currently require supercomputers or large PC farms could instead be solved with individual desktop PCs running variational principle calculations.

The researchers explain that the new application of the old physics method is faster because it allows them to spend less time calculating motions of molecules stuck in quasi-stable intermediate steps along the folding process. The intermediate steps account for vast amounts of wasted computation time in traditional, step-by-step simulations.

Citation: F. Pederiva et al. Physical Review Letters (forthcoming article)


Story Source:

The above story is based on materials provided by American Physical Society. Note: Materials may be edited for content and length.


Cite This Page:

American Physical Society. "Quantum Leap In Protein Folding Calculations." ScienceDaily. ScienceDaily, 20 September 2006. <www.sciencedaily.com/releases/2006/09/060918202123.htm>.
American Physical Society. (2006, September 20). Quantum Leap In Protein Folding Calculations. ScienceDaily. Retrieved October 22, 2014 from www.sciencedaily.com/releases/2006/09/060918202123.htm
American Physical Society. "Quantum Leap In Protein Folding Calculations." ScienceDaily. www.sciencedaily.com/releases/2006/09/060918202123.htm (accessed October 22, 2014).

Share This



More Matter & Energy News

Wednesday, October 22, 2014

Featured Research

from universities, journals, and other organizations


Featured Videos

from AP, Reuters, AFP, and other news services

Thanks, Marty McFly! Hoverboards Could Be Coming In 2015

Thanks, Marty McFly! Hoverboards Could Be Coming In 2015

Newsy (Oct. 21, 2014) If you've ever watched "Back to the Future Part II" and wanted to get your hands on a hoverboard, well, you might soon be in luck. Video provided by Newsy
Powered by NewsLook.com
Robots to Fly Planes Where Humans Can't

Robots to Fly Planes Where Humans Can't

Reuters - Innovations Video Online (Oct. 21, 2014) Researchers in South Korea are developing a robotic pilot that could potentially replace humans in the cockpit. Unlike drones and autopilot programs which are configured for specific aircraft, the robots' humanoid design will allow it to fly any type of plane with no additional sensors. Ben Gruber reports. Video provided by Reuters
Powered by NewsLook.com
Graphene Paint Offers Rust-Free Future

Graphene Paint Offers Rust-Free Future

Reuters - Innovations Video Online (Oct. 21, 2014) British scientists have developed a prototype graphene paint that can make coatings which are resistant to liquids, gases, and chemicals. The team says the paint could have a variety of uses, from stopping ships rusting to keeping food fresher for longer. Jim Drury reports. Video provided by Reuters
Powered by NewsLook.com
China Airlines Swanky New Plane

China Airlines Swanky New Plane

Buzz60 (Oct. 21, 2014) China Airlines debuted their new Boeing 777, and it's more like a swanky hotel bar than an airplane. Enjoy high-tea, a coffee bar, and a full service bar with cocktails and spirits, and lie-flat in your reclining seats. Sean Dowling (@SeanDowlingTV) has the details. Video provided by Buzz60
Powered by NewsLook.com

Search ScienceDaily

Number of stories in archives: 140,361

Find with keyword(s):
Enter a keyword or phrase to search ScienceDaily for related topics and research stories.

Save/Print:
Share:

Breaking News:

Strange & Offbeat Stories


Space & Time

Matter & Energy

Computers & Math

In Other News

... from NewsDaily.com

Science News

Health News

Environment News

Technology News



Save/Print:
Share:

Free Subscriptions


Get the latest science news with ScienceDaily's free email newsletters, updated daily and weekly. Or view hourly updated newsfeeds in your RSS reader:

Get Social & Mobile


Keep up to date with the latest news from ScienceDaily via social networks and mobile apps:

Have Feedback?


Tell us what you think of ScienceDaily -- we welcome both positive and negative comments. Have any problems using the site? Questions?
Mobile: iPhone Android Web
Follow: Facebook Twitter Google+
Subscribe: RSS Feeds Email Newsletters
Latest Headlines Health & Medicine Mind & Brain Space & Time Matter & Energy Computers & Math Plants & Animals Earth & Climate Fossils & Ruins