A Bayesian Approach for Determining Protein Side-Chain Rotamer Conformations Using Unassigned NOE Data (Supporting Material)
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چکیده
Appendix 1 briefly reviews the high-resolution protein backbone determination from residual dipolar coupling data. Appendix 2 derives the Hausdorff-based measure for evaluating the matching score between a back-computed NOE pattern and experimental spectra. Appendix 3 briefly reviews the DEE and A* search algorithms. Appendix 4 describes the NMR experimental procedures. Appendix 5 describes the cross validation approach for estimating the weighting factor parameter in the posterior energy function.
منابع مشابه
A Bayesian Approach for Determining Protein Side-Chain Rotamer Conformations Using Unassigned NOE Data
A major bottleneck in protein structure determination via nuclear magnetic resonance (NMR) is the lengthy and laborious process of assigning resonances and nuclear Overhauser effect (NOE) cross peaks. Recent studies have shown that accurate backbone folds can be determined using sparse NMR data, such as residual dipolar couplings (RDCs) or backbone chemical shifts. This opens a question of whet...
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تاریخ انتشار 2011