MESMER: minimal ensemble solutions to multiple experimental restraints

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MESMER: minimal ensemble solutions to multiple experimental restraints

MOTIVATION Macromolecular structures and interactions are intrinsically heterogeneous, temporally adopting a range of configurations that can confound the analysis of data from bulk experiments. To obtain quantitative insights into heterogeneous systems, an ensemble-based approach can be employed, in which predicted data computed from a collection of models is compared to the observed experimen...

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Quantitative evaluation of experimental NMR restraints.

Nuclear Overhauser effect (NOE) data are an indispensable source of structural information in biomolecular structure determination by NMR spectroscopy. The number and type of experimental restraints used in the structure calculation and the RMS deviation of the restraints are usually reported. We present a new method for quantifying the information contained in the experimental NMR restraints. ...

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Explicit multiple singular periodic solutions and singular soliton solutions to KdV equation

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ژورنال

عنوان ژورنال: Bioinformatics

سال: 2015

ISSN: 1367-4803,1460-2059

DOI: 10.1093/bioinformatics/btv079