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Alexander Kritzer et al. have developed an alternative approach to assess the effect of global radiation damage on protein structure using stochastic modeling: They have computed a distribution of radiation-induced changes to the structure of a protein when it is exposed to several doses of radiation, and plotted an ensemble of models to demonstrate that the damage pattern is difficult to reproduce even for the same protein. These models suggest that intensity data may be implemented to generate radiation damage maps, which could then be used to guide structure determination. Here, we have used stochastic modeling to calculate the effect of radiation-induced damage on the structure of HEWL and compare it with the predicted structure based on a conventional approach.[13]
EuroDAP has a lot of experience with dose-rate experiments, and also in addressing the radiation damage problem in synchrotron experiments. We have developed an efficient implementation of the stochastic modeling method of Kritzer et al., and combined it with a sophisticated Monte Carlo radiation damage distribution developed by A. Schmidt. Using this, we calculated the dose-rate induced damage on HEWL and compared it to the damage predicted by the conventional approach of using a constant dose-rate (0.1 MGy/s) to assess the effect of dose rate on the structure of the protein.
For an in-depth comparison of our radiation damage modeling approach and the one from Schmidt et al., we offer the inclusion of all three models in PARSEC. They are available for Linux and Windows systems. d2c66b5586