Section: New Results
FFT-accelerated methods for fitting molecular structures into Cryo-EM maps
Participants : Alexandre Hoffmann, Sergei Grudinin.
We have developed a set of new methods for fitting molecular structures into Cryo-EM maps.
The problem can be formally written as follows,
We are given two proteins
In image processing this problem is usually solved using the optimal transport theory,
but this method assumes that both of the densities have the same
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the first one uses optimization techniques such as gradient descent, and
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the second one uses Fast Fourier Transform (FFT) to compute the Cross Correlation Function (CCF) of
and .
The NANO-D team has already developed some algorithms based on the FFT to find