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

Gabriel Biener,Tek Narsingh Malla,Peter Schwander,Marius Schmidt, T. Ishikawa

IUCrJ（2024）

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摘要

A kinetics-informed neural-network method (KINNTREX) is designed to analyze a time series of difference maps from a time-resolved X-ray crystallographic experiment.

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关键词

neural networks,time-resolved X-ray crystallography,machine learning,difference maps,electron density,kinetics,protein mechanisms,loss functions,reaction-rate coefficients,singular value decomposition

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