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 September 1, 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 September 1, 2014).

Share This




More Matter & Energy News

Monday, September 1, 2014

Featured Research

from universities, journals, and other organizations


Featured Videos

from AP, Reuters, AFP, and other news services

Australian Airlines Relax Phone Ban Too

Australian Airlines Relax Phone Ban Too

Reuters - Business Video Online (Aug. 26, 2014) Qantas and Virgin say passengers can use their smartphones and tablets throughout flights after a regulator relaxed a ban on electronic devices during take-off and landing. As Hayley Platt reports the move comes as the two domestic rivals are expected to post annual net losses later this week. Video provided by Reuters
Powered by NewsLook.com
Hurricane Marie Brings Big Waves to California Coast

Hurricane Marie Brings Big Waves to California Coast

Reuters - US Online Video (Aug. 26, 2014) Huge waves generated by Hurricane Marie hit the Southern California coast. Rough Cut (no reporter narration). Video provided by Reuters
Powered by NewsLook.com
Chinese Researchers Might Be Creating Supersonic Submarine

Chinese Researchers Might Be Creating Supersonic Submarine

Newsy (Aug. 26, 2014) Chinese researchers have expanded on Cold War-era tech and are closer to building a submarine that could reach the speed of sound. Video provided by Newsy
Powered by NewsLook.com
Breakingviews: India Coal Strained by Supreme Court Ruling

Breakingviews: India Coal Strained by Supreme Court Ruling

Reuters - Business Video Online (Aug. 26, 2014) An acute coal shortage is likely to be aggravated as India's supreme court declared government coal allocations illegal, says Breakingviews' Peter Thal Larsen. Video provided by Reuters
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:
from the past week

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