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:7/30/2014)... (125I) in cancer treatment has been shown to ... critical for neural transmission between the peripheral and ... from Institute of Radiation Medicine, Chinese Academy of ... implanted into rat dorsal root ganglia (DRG) to ... different radioactivity (0, 14.8, 29.6 MBq) were implanted ...
(Date:7/30/2014)... into a multitude of cells types. Researchers would like to ... of mature cells that make up the organs and other ... be long chains of sugars that dangle from proteins on ... of California, San Diego, has created synthetic molecules that can ... easily manipulated to direct the process, they report in the ...
(Date:7/30/2014)... SAN JOSE, Calif. , July 30, 2014 ... industry-academia partnership with the United States Air Force ... project proposed by Binghamton ... for human performance monitoring (HPM). The $425,000 project, ... and electronics packaging firm i3 Electronics, Inc. ( ...
Breaking Biology News(10 mins):Nano-Bio Manufacturing Consortium Awards Funding to Binghamton University for Development of Electronics and Biometric Sensor Platforms 2Nano-Bio Manufacturing Consortium Awards Funding to Binghamton University for Development of Electronics and Biometric Sensor Platforms 3
... life," but does today,s unprecedented level of dietary variety ... it might. According to ASN Spokesperson Shelley ... eating, itself- can trigger release of various brain chemicals, ... with drug addiction and withdrawal. And, as can happen ...
... Populations of spur-thighed tortoises ( Testudo graeca ), a species ... fires if outbreaks occur once every three decades or more. ... each fire. These are the results of a study by ... fire in the Sierra de la Carrasquilla mountains in Murcia ...
... is available in German . They live their lives ... upright position, sloths spend most of their lives hanging in trees ... slowly. Very slowly. But why are sloths so ,lazy,? And how ... lifestyle in the course of evolution? Zoologists of the Friedrich Schiller ...
Cached Biology News:Does food act physiologically like a 'drug of choice' for some? 2Tortoise populations can withstand fires every 30 years 2The decoding of slowness 2
(Date:7/30/2014)... 30, 2014 With the accelerated ... personal health expenditure as well as the improved ... China diagnostic reagent industry has been developing quickly, ... In 2013, Chinese in vitro diagnostics market size ... from in vitro diagnostic reagents. , Read ...
(Date:7/30/2014)... 2014  Orexigen Therapeutics, Inc. (Nasdaq: OREX ... List of Outstanding Issues (LOI) from the European Medicines ... for the NB32 Marketing Authorization Application (MAA). NB32 (naltrexone ... drug candidate being evaluated for weight loss. ... point were adequately addressed by the Company based in ...
(Date:7/30/2014)... 2014  RXi Pharmaceuticals Corporation (NASDAQ: ... on discovering, developing and commercializing innovative therapies ... technologies, today announced that their third Phase ... reduction of recurrence of hypertrophic scars following ... Logo - http://photos.prnewswire.com/prnh/20130917/NE80755LOGO ...
(Date:7/30/2014)... Immunology Summit-2014 will be ... scientists in the field, which includes prominent personalities ... Western Reserve University School of Medicine, USA, who ... “The effects of recombinant human IL-6 and recombinant ... Biragyn, a Senior investigator at National Institute on ...
Breaking Biology Technology:China Diagnostic Reagent Industry Report, 2013-2016 | Researchmoz 2China Diagnostic Reagent Industry Report, 2013-2016 | Researchmoz 3Orexigen Receives CHMP Day 180 List of Outstanding Issues 2Orexigen Receives CHMP Day 180 List of Outstanding Issues 3RXi Pharmaceuticals Expands Clinical Program with Initiation of Third Phase 2a Study with RXI-109 for Treatment of Hypertrophic Scars 2RXi Pharmaceuticals Expands Clinical Program with Initiation of Third Phase 2a Study with RXI-109 for Treatment of Hypertrophic Scars 3RXi Pharmaceuticals Expands Clinical Program with Initiation of Third Phase 2a Study with RXI-109 for Treatment of Hypertrophic Scars 4RXi Pharmaceuticals Expands Clinical Program with Initiation of Third Phase 2a Study with RXI-109 for Treatment of Hypertrophic Scars 5Unveiling Breakthroughs in Clinical & Cellular Immunology 2Unveiling Breakthroughs in Clinical & Cellular Immunology 3
... way of life at Meriter Hospital , a ... care to southern Wisconsin. Meriter includes a hospital, clinic, ... service. Formed from a merger of Madison General Hospital ... 430 active and associate physicians in over 30 medical ...
... from traditional paper phone bills to SBC eBill ... the "Save a StampHelp Save a Life" campaign, created in ... Inc. will contribute $1 dollar for every SBC customer that ... 15, 2004. , ,In 2004, an estimated 216,000 new cases ...
... Despite a two-year-plus economic recovery in the United States, ... which source you cite) have mysteriously failed to appear ... they not been created as expected? The list of ... recovery, uncertainty about the future, terrorism and the war ...
Cached Biology Technology:Meriter IT team builds project performance through internal relationships 2Meriter IT team builds project performance through internal relationships 3Meriter IT team builds project performance through internal relationships 4Gone missing: Today jobs, tomorrow workers? 2Gone missing: Today jobs, tomorrow workers? 3
... The Sciclone ALH 4000 workstation is ... groups seeking to introduce automated liquid handling ... labs that need to support routine applications ... automated and,integrated for walk-away automation even ...
... ECACC is able to accept cell lines produced ... The cell lines must be accompanied by a ... accordance with the requirements of cGMP and that ... bacteria or fungi. What are the benefits of ...
... Affinity Life Sciences provides cost effective cell ... proteins or monoclonal antibodies. Quality at a ... whether you require research or commercial product, ... production methods such as roller bottles, hollow ...
... The Human Genetic Cell Bank Service ... ECACC is based on Epstein-Barr Virus (EBV) ... resulting in the production of lymphoblastoid cell ... banked, providing a renewable and expandable source ...
Biology Products: