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Photoreceptors, Microbial

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Few-fs resolution of a photoactive protein traversing a conical intersection.

Nature
The structural dynamics of a molecule are determined by the underlying potential energy landscape. Conical intersections are funnels connecting otherwise separate potential energy surfaces. Posited almost a century ago, conical intersections remain t...

KINNTREX: a neural network to unveil protein mechanisms from time-resolved X-ray crystallography.

IUCrJ
Here, a machine-learning method based on a kinetically informed neural network (NN) is introduced. The proposed method is designed to analyze a time series of difference electron-density maps from a time-resolved X-ray crystallographic experiment. Th...