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A global multi‐technique approach to study low‐resolution solution structures
Author(s) -
Nöllmann Marcelo,
Stark W. Marshall,
Byron Olwyn
Publication year - 2005
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889805026191
Subject(s) - macromolecule , simulated annealing , monte carlo method , low resolution , resolution (logic) , statistical physics , analytical ultracentrifugation , range (aeronautics) , förster resonance energy transfer , materials science , chemistry , chemical physics , high resolution , physics , computer science , algorithm , fluorescence , optics , ultracentrifuge , nuclear magnetic resonance , mathematics , biochemistry , statistics , remote sensing , artificial intelligence , composite material , geology
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.