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Reversibly switchable fluorescent proteins (RSFPs) are essential for high‐resolution microscopy of biological samples, but the reason why these proteins are photochromic is still poorly understood. To address this problem, we performed molecular dynamics simulations of the fast switching Met159Thr mutant of the RSFP Dronpa. Our simulations revealed a ground state structural heterogeneity in the chromophore...
Die Bedeutung von Computersimulationen in so unterschiedlichen Gebieten wie Chemie, Biophysik, Strukturbiologie und Materialwissenschaften wird durch die Verleihung des Chemie‐Nobelpreises 2013 an drei der wichtigsten Pioniere der computergestützten Chemie unterstrichen. Computersimulationen werden heute vielfach verwendet, um experimentelle Ergebnisse zu interpretieren, um Hypothesen zu testen und...
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