Dec 2, 2022
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For any polymer, the euclidean distance map (D) is defined as a matrix where D_ij=d_ij^2 where d_ij is the distance between i and j. This contains all the necessary information to re-create the structure. However certain biological experiments, especially Hi-C or NOESY NMR, are only able to provide us with a list of monomers that are within a certain cut-off distance (r_c). This is called a contact-map (C). We propose a deep auto-encoder that is able to reconstruct D when only provided with C. We test this network on ensembles of structures generated by MD simulations. We show that a deep auto-encoder is capable of reconstructing polymer structures simply from the contact map information. We propose that this network can be applied to single-cell Hi-C maps to reconstruct chromosome structures in individual cells.For any polymer, the euclidean distance map (D) is defined as a matrix where D_ij=d_ij^2 where d_ij is the distance between i and j. This contains all the necessary information to re-create the structure. However certain biological experiments, especially Hi-C or NOESY NMR, are only able to provide us with a list of monomers that are within a certain cut-off distance (r_c). This is called a contact-map (C). We propose a deep auto-encoder that is able to reconstruct D when only provided with C. W…
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