Bayesian Hi-C metainference of chromatin structure via molecular dynamics simulations

Hi-C and related experiments provide information on contact frequencies in folding chromatin. While chromatin fold highly heterogeneously, these experiments give ensemble-averaged data. We introduce the Hi-C metainference method to infer the heterogeneous structure ensemble from the Hi-C data with the prior distribution constructed from molecular dynamics simulations and Markov state modeling. We test how the static structural ensemble as well as dynamics can be inferred in this process.