(Press-News.org) Contact information: Rob Dawson
rob.dawson@bbsrc.ac.uk
01-793-413-204
Biotechnology and Biological Sciences Research Council
Gaming technology unravels 1 of the most complex entities in nature
Computational research unveils secrets in the human carbohydrate bar-code
BBSRC-funded researchers at the University of Manchester's Institute of Biotechnology have used the power of off-the-shelf computer gaming technology to capture previously unobservable atomic movements. The research is helping to chart one of nature's most complex entities known as "glycomes" - the entire complement of carbohydrates within a cell.
This novel solution provides a new understanding of these vital biomolecules which play a role in everything from neuronal development, inflammation and cell structure, to disease pathology and blood clotting.
Understanding the shapes of major biological molecules has revolutionised areas like drug development and medical diagnostics, but the shape of complex carbohydrates has been largely ignored.
The research, reported in a series of six peer-reviewed scientific publications (see notes) with the most recent (published today) appearing in Carbohydrate Research, provides a new view of these biochemical barcodes and present new opportunities in the science of carbohydrates, such as designing drugs or biomaterials that mimic carbohydrate shape and interpreting burgeoning functional glycomics data.
Dr Ben Sattelle from the Faculty of Life Sciences said: "Carbohydrate activity stems from 3D-shape, but the link between carbohydrate sequence and function remains unclear. Sequence-function relationships are rapidly being deciphered and it is now essential to be able to interpret these data in terms of molecular 3D-structure, as has been the case for proteins and the DNA double-helix.
"By using technology designed for computer games, we have been able to investigate the previously unseen movements of carbohydrates at an atomic scale and over longer timescales than before. The insights relate carbohydrate sequence to molecular shape and provide information that will be vital for many industries.
"Carbohydrates remain extremely difficult to characterise in 3D using experiments and advances in computer technology, which exploit computer-gaming technology, have enabled us to use and develop methods that can routinely provide accurate 3D-data for this important class of biomolecules. The ability to model atomic motions in large carbohydrate polymers promises to transform our understanding of fundamentally important biological processes. For example, our approach has potential applications in the design of carbohydrate-based biomaterials, pharmaceuticals and foods."
Modelling carbohydrate motions in water is computationally demanding, meaning that simulations have been limited to short nanosecond timescales using conventional software and central processing unit (CPU) based computers. The team from Manchester achieved simulations ranging from one microsecond (the time it takes for a strobe light to flash) to twenty-five microseconds by exploiting the extra computational power of graphics processing units (GPUs) that are commonly used in game-play to produce moving images. Compared to CPU-based computers, or even supercomputing clusters of them, GPU technology allows many more simultaneous calculations to be performed.
The researchers produced the first predictions of microsecond molecular motions in glycomic building blocks and oligosaccharides. Previously unobservable atomic movements were predicted and found to be sensitive to the carbohydrate sequence. Building on these new insights, the researchers developed a new physics-based model and GPU software that allows far more realistic simulations of long carbohydrate sequences (polymers) - on microsecond and micrometer scales. Using heparan sulphate chains (Figure 1, see notes) the researchers showed that including both flexible degrees of freedom in their model, polymer linkage and ring motions, is crucial to reproduce experimental shape data and ring dynamics were implicated in sequence-dependent biological activity.
The research has culminated in a computational GPU-based method and protocol that can now be used by other researchers to explore the 3D-landscape of largely unchartered organismal glycomes in unprecedented detail.
### END
Gaming technology unravels 1 of the most complex entities in nature
Computational research unveils secrets in the human carbohydrate bar-code
2013-10-31
ELSE PRESS RELEASES FROM THIS DATE:
The secret's in the (robotic) stroke
2013-10-31
The secret's in the (robotic) stroke
NYU-Poly researchers tease out cues that impact schooling fish behavior
Brooklyn, New York— Recent studies from two research teams at the Polytechnic Institute of New York University (NYU-Poly) demonstrate ...
Increasing rate of knee replacements linked to obesity among young, researchers say
2013-10-31
Increasing rate of knee replacements linked to obesity among young, researchers say
New data show younger adults have same or greater impairment than older patients
BOSTON – Contrary to popular myth, it is not the aging Baby Boomer or weekend ...
Newly identified proteins make promising targets for blocking graft-vs.-host disease
2013-10-31
Newly identified proteins make promising targets for blocking graft-vs.-host disease
Finding could help improve outcomes from bone marrow transplants
ANN ARBOR, Mich. — Researchers from the University of Michigan Comprehensive Cancer Center have ...
Biochemists find incomplete protein digestion is a useful thing for some bacteria
2013-10-31
Biochemists find incomplete protein digestion is a useful thing for some bacteria
To the authors' surprise, 1 specialized replication factor was partially digested or trimmed, physically cut into shorter fragments, by an energy-dependent protease ...
Long-term use of prescription-based painkillers increases the risk of depression, SLU researcher finds
2013-10-31
Long-term use of prescription-based painkillers increases the risk of depression, SLU researcher finds
ST. LOUIS – Opioid analgesics, or prescription-based narcotic pain killers, have long been known to reduce pain, but reports of adverse effects and addiction continue ...
Houston we have a problem: Microgravity accelerates biological aging
2013-10-31
Houston we have a problem: Microgravity accelerates biological aging
New research in The FASEB Journal suggests that gravitational unloading significantly impairs the function of endothelial cells, as evidenced by gene expression ...
Primary GOES-R instrument ready to be installed onto spacecraft
2013-10-31
Primary GOES-R instrument ready to be installed onto spacecraft
A key instrument that will fly on the Geostationary Operational Environmental Satellite – R (GOES-R) spacecraft, NOAA's next-generation of geostationary satellites, is cleared for installation ...
Lefties more likely to have psychotic disorders such as schizophrenia: Yale study
2013-10-31
Lefties more likely to have psychotic disorders such as schizophrenia: Yale study
Being left-handed has been linked to many mental disorders, but Yale researcher Jadon Webb and his colleagues have found that among those with mental illnesses, people with psychotic ...
Direct link established between stimulus-response learning and substance abuse
2013-10-31
Direct link established between stimulus-response learning and substance abuse
Findings from Douglas Institute neuroscientist
Véronique Bohbot, PhD, neuroscientist at the Douglas Mental Health University Institute, found ...
Could a milky way supernova be visible from Earth in next 50 years?
2013-10-31
Could a milky way supernova be visible from Earth in next 50 years?
Advances in cameras, new strategies for detection make it possible
COLUMBUS, Ohio—Astronomers at The Ohio State University have calculated the odds that, sometime during the next 50 years, a supernova ...
LAST 30 PRESS RELEASES:
Innovative oncolytic virus and immunotherapy combinations pave the way for advanced cancer treatment
New insights into energy metabolism and immune dynamics could transform head and neck cancer treatment
Pennington Biomedical’s Dr. Steven Heymsfield named LSU Boyd Professor – LSU’s highest faculty honor
Study prompts new theory of human-machine communication
New method calculates rate of gene expression to understand cell fate
Researchers quantify rate of essential evolutionary process in the ocean
Innovation Crossroads companies join forces, awarded U.S. Air Force contract
Using new blood biomarkers, USC researchers find Alzheimer’s disease trial eligibility differs among various populations
Pioneering advances in in vivo CAR T cell production
Natural medicines target tumor vascular microenvironment to inhibit cancer growth
Coral-inspired pill offers a new window into the hidden world of the gut
nTIDE September2025 Jobs Report: Employment for people with disabilities surpasses prior high
When getting a job makes you go hungry
Good vibrations could revolutionize assisted reproductive technology
More scrutiny of domestic fishing fleets at ports could help deter illegal fishing
Scientists transform plastic waste into efficient CO2 capture materials
Discovery of North America’s role in Asia’s monsoons offers new insights into climate change
MD Anderson and Phoenix SENOLYTIX announce strategic cross-licensing agreement to enhance inducible switch technologies for cell and gene therapies
Researchers discover massive geo-hydrogen source to the west of the Mussau Trench
Even untouched ecosystems are losing insects at alarming rates, new study finds
Adaptive visible-infrared camouflage with wide-range radiation control for extreme ambient temperatures
MD Anderson research highlights for September 5, 2025
Physicists create a new kind of time crystal that humans can actually see
Reminder: Final media invitation for EPSC-DPS2025 and details of media briefings on RAMSES and Juno missions
Understanding orderly and disorderly behavior in 2D nanomaterials could enable bespoke design, tailored by AI
JAMA Network launches JAMA+ Women's Health
Surface plasmon driven atomic migration mediated by molecular monolayer
ERC Starting Grant for five University of Groningen scientists
AI turns printer into a partner in tissue engineering
What climate change means for the Mediterranean Sea
[Press-News.org] Gaming technology unravels 1 of the most complex entities in natureComputational research unveils secrets in the human carbohydrate bar-code