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Distance geometry random sampling

Note that although the bounds on the distances satisfy the triangle inequalities, particular choices of distances between these bounds will in general violate them. Therefore, if all distances are chosen within their bounds independently of each other (the method that is used in most applications of distance geometry for NMR strucmre determination), the final distance matrix will contain many violations of the triangle inequalities. The main consequence is a very limited sampling of the conformational space of the embedded structures for very sparse data sets [48,50,51] despite the intrinsic randomness of the tech-... [Pg.258]

Usually, several low energy solutions will remain, but it is often possible to design experiments that can differentiate between them. On the other hand, if there are many degenerate solutions to the model, we can conclude that the model is underdetermined. Finally, distance geometry s random sampling of models often produces surprises, which occasionally lead to new ideas. [Pg.301]


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See also in sourсe #XX -- [ Pg.26 ]




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Distance Geometry

Random samples

Random sampling

Randomized samples

Samples random sample

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