Supercomputer simulations(模擬，仿真) at the Department of Energy's Oak Ridgehelpingnucleic acids(核酸) could have contributed to the origins of life. A research team led by Jeremy Smith, who directs ORNL's Center for Moleculardynamicsribonucleic acids(核糖核酸) , or RNA, into early life forms.

Certain types of RNA called ribozymes(核糖酶)are capable of both storing geneticcatalyzes

"Life means making moleculessufficiently

The research team found a theoretical explanation for why the Diels-Alder ribozyme needs

"Computer simulations can provide insight into biological systems that you can't get any other way," Smith said. "Since these structures are changing so much, the dynamic aspects are difficult to understand, but simulation is a good way of doing it."

Smith explained how their calculations showed that the ribozyme's internal dynamics included an active site, or "mouth," which opens and closes to control the reaction. The concentration of magnesium ions directly impacts the ribozyme's movements.

"When there's no magnesium present, the mouth closes, the substrate can't get in, and the reaction can't take place. We found that magnesium ions bind

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