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. 1996 Jan;7(1):72-6.
doi: 10.1007/BF00190458.

Do NOE distances contain enough information to assess the relative populations of multi-conformer structures?

A M Bonvin  1 , A T Brünger
Affiliations

Do NOE distances contain enough information to assess the relative populations of multi-conformer structures?

A M Bonvin et al. J Biomol NMR. 1996 Jan.

Abstract

The feasibility of determining the relative populations of multi-conformer structures from NOE-derived distances alone is assessed. Without cross-validation of the NOE restraints, any population ratio can be refined to a similar quality of the fit. Complete cross-validation provides a less biased measure of fit and allows the estimation of the correct population ratio when used in conjunction with very tight distance restraints. With the qualitative distance restraints most commonly used in NMR structure determination, cross-validation is unsuccessful in providing the correct answer. Other experimental sources are therefore needed to determine relative populations of multi-conformer structures.

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References

    1. Science. 1990 Sep 7;249(4973):1149-52 - PubMed
    1. Science. 1993 Jul 16;261(5119):328-31 - PubMed
    1. J Magn Reson B. 1995 Oct;109(1):44-59 - PubMed
    1. Science. 1996 Jan 5;271(5245):72-7 - PubMed
    1. Biochemistry. 1989 Oct 31;28(22):8792-7 - PubMed

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