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QM/MM Studies of the Triosephosphate Isomerase-Catalyzed Reaction
Triosephosphate isomerase (TIM) is a dimeric enzyme that catalyzes the conversion between dihydroxyacetone phosphate (DHAP) and R-glyceraldehyde 3-phosphate (GAP), which is an important step in glycolysis (the enzymatic breakdown of carbohydrates). TIM increases the reaction rate by more than109 times, and has thus been referred to as a “perfect” enzyme.Many experimental techniques have been used to study the enzyme, supplemented by a number of theoretical calculations, but the complex… Read More »
NERSC Helps Climate Scientists Complete First Ever 1,000-Year Run of Nation's Leading Climate Change Modeling Application
Scientists from the National Center for Atmospheric Research (NCAR) have just completed a 1,000-year run of a powerful new climate system model on a supercomputer at the U.S. Department of Energy's National Energy Research Scientific Computing Center (NERSC) at Lawrence Berkeley National Laboratory. Accurately predicting global climate change demands complex and comprehensive computer simulation codes, the fastest supercomputers available and the ability to run those simulations long enough to model century after century of the global climate. Read More »
