Computational chemistry draws for the first time the “interactive cartographic map” of enzymes during chemical reactions

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Knowing how enzymes work is key to control the chemical processes involving these biological macromolecules that have countless applications in the fields of medicine and industry. Computational chemistry has enabled to draw for the first time the enzymes “cartographic map” during the catalysis process, including the moment when they are at the point of maximum energy on the way from reactants to products that takes only a femtosecond (the quadrillionth of a second). This map is also interactive in the sense that it relates the changes experienced by the molecule with the movements of the protein that contains it. The study conducted by researchers at the Universitat Jaume I and the University of Valencia has been published in the prestigious Nature Chemistry journal, which has published only 27 articles with involvement of Spanish scientists to date.

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UCC+i UJI. June 2013

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