Navigation Links
New computer simulation helps explain folding in important cellular protein
Date:7/29/2009

arlo simulationsthe use of algorithms with repeated random samplings to produce reliable predictionshave been around for some decades but have been steadily refined. These simulations are useful for extremely complex problems with multiple variables, and though they often require considerable computer "brain power," they are able to give scientists startlingly accurate predictions of how biological processes work.

In the current paper, the research team developed a two-step Monte Carlo procedure to investigate, for glycophorin A (GpA), an important biochemical process called dimerization. (A dimer in biology or chemistry consists of two structurally similar units that are held together by intra- or intermolecular forces.)

"One particularly promising approach is to investigate the thermodynamics of protein folding through examining the energy landscape," Landau explained. "By doing this, we can learn about the characteristics of proteins including possible folding pathways and folding intermediates. Thus, it allows us to bridge the gap between statistical and experimental results."

Unfortunately, so much is happening physically and biochemically as proteins fold into their functional shapes (called the native state) that the problems must be broken down one by one and studied. That led the team to a question: Could they use a Monte Carlo Simulation along with the Wang-Landau algorithm to discover an efficient simulation method capable of sampling the energy density states that allow such folding?

Perhaps remarkably, they did. The first step in studying the dimerization process was to estimate those states in GpA using Wang-Landau. The second step was to sample various energy and structural "observables" of the system to provide insights into the thermodynamics of the entire system.

The results could be broadly applied to many fields of protein-folding studies that are important to understandingand treatingcertain diseases
'/>"/>

Contact: David Landau
dlandau@uga.edu
706-542-2908
University of Georgia
Source:Eurekalert

Page: 1 2 3

Related biology news :

1. New supercomputer to reel in answers to some of Earths problems
2. Computers aid in cracking deception in plants
3. Brain-computer interface, developed at Brown, begins new clinical trial
4. Computer model predicts brain tumor growth and evolution
5. Caltech researchers train computers to analyze fruit-fly behavior
6. Collaboration leads to success: Most powerful computer of its kind in western N.Y. available worldwide
7. Computer simulations explain the limitations of working memory
8. Computer superpower strengthens attempts to combat common diseases
9. New open-source software permits faster desktop computer simulations of molecular motion
10. Lifecycles of tropical cyclones predicted in global computer model
11. Singapore research team first place in Brain-Computer Interface contest
Post Your Comments:
*Name:
*Comment:
*Email:
(Date:12/17/2014)...  Automation is fundamentally transforming the travel experience ... international borders. Over the past decade, ePassports, biometric ... travelers to self process through border control via ... an increasing number of airports, seaports, and land ... to Maxine Most , Principal at Acuity ...
(Date:12/11/2014)... DUBLIN , Dec. 09, 2014 Research ... http://photos.prnewswire.com/prnh/20130307/600769 ( http://www.researchandmarkets.com/research/twhjll/biometrics_market ) ... Market in the APAC Region 2015-2019"  report to ... emerging in this market is advances in technology. ... to upgrade biometric solutions to the latest standard ...
(Date:12/11/2014)...  That blood pressure plays a role in human health ... medical term for high blood pressure – was first described ... cuff that,s used in measuring blood pressure was invented in ... about hypertension, its triggers and its effects. In fact, recent ... the best ways to treat it. For example, ...
Breaking Biology News(10 mins):Automated Border Control (ABC) Transforms the Global Travel Experience With More Than 2500 ABC eGates and APC Kiosks Deployed In Airports, Seaports, and Land Borders Worldwide 2Biometrics Market in the APAC Region 2015-2019: Key Vendors are 3M Cogent, NEC, Safran and Suprema 2Research points to need for new approaches to treatment of high blood pressure 2Research points to need for new approaches to treatment of high blood pressure 3Research points to need for new approaches to treatment of high blood pressure 4
... - (Toronto) A new study from the Centre for ... a variation of a specific gene may play a role ... of Alzheimer,s cases. This innovative study has combined genetics and ... developing late-onset Alzheimer,s disease long before symptoms appear. The ...
... examine the response to noise of a diverse range of ... found that many families of crustaceans previously assumed to be ... Lizard Island on the Great Barrier Reef, the team collected ... webs. On each of 34 nights, one light trap ...
... (Minority Access to Research Careers) Program has announced the ... Sports Medicine (ACSM) Southeast Chapter Annual Meeting in Greenville, ... to promote the entry of underrepresented minority students, postdoctorates ... community and to encourage the participation of young scientists ...
Cached Biology News:Combining brain imaging, genetic analysis may help identify people at early risk of Alzheimer's 2Rowdy residents warn crustaceans away from perilous reefs 2
(Date:12/24/2014)... December 23, 2014 Earlier this year ... L. Sherley, director of the Adult Stem Cell Technology ... often overlooked and under appreciated unique property of adult ... Distributed Stem Cells: Misunderstood in the Past, Important for ... congress participants. He gave the address at the ...
(Date:12/24/2014)... (PRWEB) December 23, 2014 ... mercaptan such as its definition, classification, application ... product specification, manufacturing process, and product cost ... and applications. The analysis also covers upstream ... channels, industry development trend and proposals. In ...
(Date:12/24/2014)... BEIJING , Dec. 23, 2014 ... or the "Company"), a leading fully integrated plasma-based ... today announced that its majority-owned subsidiary, Shandong Taibang ... Practices ("GMP") certification from the China Food and ... factor production facility. As previously disclosed in the ...
(Date:12/24/2014)... , Dec. 23, 2014  Rock Creek Pharmaceuticals, ... it has filed a Clinical Trial Application (CTA) with ... products Regulatory Agency (MHRA) seeking regulatory approval to initiate ... molecule, Anatabine Citrate. Contingent on the Company ... a Phase I trial to assess the safety, tolerability ...
Breaking Biology Technology:Adult Stem Cell Technology Center, LLC’s Director Sherley's Address on What’s Holding Back Regenerative Medicine Featured on Omics Group Website 2Adult Stem Cell Technology Center, LLC’s Director Sherley's Address on What’s Holding Back Regenerative Medicine Featured on Omics Group Website 3Adult Stem Cell Technology Center, LLC’s Director Sherley's Address on What’s Holding Back Regenerative Medicine Featured on Omics Group Website 4Worldwide Methyl Mercaptan Market 2015-2020 Forecasts on Development & Trends Now Available at ReportsnReports.com 2China Biologic Receives GMP Certification for New Coagulation Factor Facility 2China Biologic Receives GMP Certification for New Coagulation Factor Facility 3Rock Creek Pharmaceuticals Files Clinical Trial Application in the UK for Clinical Trials of Anatabine Citrate Formulations 2Rock Creek Pharmaceuticals Files Clinical Trial Application in the UK for Clinical Trials of Anatabine Citrate Formulations 3
... , ... a vital role in Merrimack,s acquisition of Hermes Biosciences and partnership with sanofi-aventis ... Cambridge, MA (PRWEB) ... the discovery and development of novel treatments for cancer and inflammation, today announced that ...
... ... Look , ... 5, 2010 -- HealthTalker , the leader in word of mouth (WOM) marketing campaigns ... Massachusetts headquarters. HealthTalker also reported strong revenue and significant year-over-year growth for its third ...
... on a single atom oflet,s saygold to detach it from ... measure of the astonishing progress in nanotechnology that questions that ... being asked by engineers. To help with the answers, a ... (NIST) has built an ultra-stable instrument for tugging on chains ...
Cached Biology Technology:Merrimack Pharmaceuticals Promotes William Sullivan to Vice President of Finance 2HealthTalker Programs Leveraging the Power of Word of Mouth Find Huge Success for Pharmaceutical Industry 2HealthTalker Programs Leveraging the Power of Word of Mouth Find Huge Success for Pharmaceutical Industry 3NIST researchers holding steady in an atomic-scale tug-of-war 2
Recombinant Human HGF...
Human alpha-1-antitrypsin. No cross-reactivity with alpha-1-acid glycoprotein, serum albumin or other serum proteins....
... histochemically detect specific senescence ... in cultured cells and ... marker is only present ... found in presenescent/quiescent/immortal cells. ...
Recombinant Mouse LIGHT/TNFSF14...
Biology Products: