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We propose to use change points of atomic positions in the molecular dynamics trajectory as indicators of the propagating signals in protein. We designate these changes as signals because they can propagate within the molecule in the form of "perturbation wave", transmit energy or information between different parts of protein, and serve as allosteric… (More)
Different proteins, even without sequence similarity, still can contain similar surface regions involved in protein-protein interactions with common target. These regions can serve as structural determinants of cross-reactivity and molecular mimicry. Molecular mimicry, defined as the process in which structural properties of one molecule are simulated by… (More)