Abstract
Finding the conformation of large macromolecular complexes has become an important problem in structural biology, which is not always soluble by high-resolution techniques such as X-ray crystallography and NMR spectroscopy. Solution biophysical properties can provide direct or indirect structural information on these large complexes. A general systematic approach to the construction of a structural model of the macromolecule consistent with all the experimental solution properties is currently lacking. In this paper, such an approach is presented, where generalized rigid-body modelling is combined with a Monte Carlo/simulated-annealing optimization method, to search over a large range of possible conformations for the structure that best fits solution experimental properties derived from small-angle scattering, fluorescence resonance energy transfer and analytical ultracentrifugation.
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