Optima Lecithin Granules

Via Phy.Org – Supercomputer simulations enhance understanding of protein

Ok, file this under ‘I don’t completely understand it’, but a supercomputer used by the  Department of Energy’s Oak Ridge National Laboratory is creating simulations to further understand protein’s role in living organisms. This could have enormous implications to our view of health, diet and for us, supplements. 


“Proteins have never been seen this way before,” said coauthor Jeremy Smith, director of ORNL’s Center for Molecular Biophysics and a Governor’s Chair at the University of Tennessee (UT). “We used considerable computer power to provide a unified conceptual picture of the motions in proteins over a huge range of timescales, from the very shortest lengths of time at which atoms move (picoseconds) right up to the lifetimes of proteins in cells (roughly 1000 seconds). It changes what we think a protein fundamentally is.”


Read the complete article here: New supercomputer simulations enhance understanding of protein motion and function


The illustration is from the Phy.Org article and comes with the following accreditation: Illustration of the structure of a phosphoglycerate kinase protein that was subjected to molecular dynamics simulations. The relative motions of the red and blue domains of the proteins are highly complex, and can be described in terms of motion of a configurational point on a rough energy landscape (illustrated). The transitions of the structure between energy minima on the landscape can be described in terms of a network (illustrated), which is found to be fractal (self-similar) on every timescale. Credit: Thomas Splettstoesser; scistyle.com


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