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  • Team brings subatomic resolution to computational microscope

    Researchers can simulate atomic and subatomic dynamics in large molecular systems. Here is a visualization of the process by which the amino acid glutamate (Glu) is attached to a specific region of its transfer RNA (tRNA).



    Researchers can simulate atomic and subatomic dynamics in large molecular systems. Here is a visualization of the process by which the amino acid glutamate (Glu) is attached to a specific region of its transfer RNA (tRNA). An energy-rich molecule, ATP, drives this reaction and is converted to AMP in the process. The red and blue bubbles represent the probability of finding electrons in particular regions. Green and white bars delineate the atoms that bond in this chemical reaction.

    Graphic by Rafael Bernardi, Zan Luthey-Schulten and Marcelo Melo

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  • Editor’s notes:
    To reach Zan Luthey-Schulten, call 217-333-3518; email zan@illinois.edu.
    To reach Rafael C. Bernardi, email rcbernardi@ks.uiuc.edu.
    To reach Marcelo C. R. Melo, email crdsdsr2@illinois.edu.
    The paper “NAMD goes quantum: An integrative suite for hybrid simulations” is available online and from the U. of I. News Bureau.
    DOI: 10.1038/nmeth.4638