書誌事項
- 公開日
- 2006-01-12
- 権利情報
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- http://journals.iucr.org/services/copyrightpolicy.html
- http://journals.iucr.org/services/copyrightpolicy.html#TDM
- DOI
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- 10.1107/s0021889805038987
- 公開者
- International Union of Crystallography (IUCr)
この論文をさがす
説明
<jats:p>The<jats:italic>TLSMD</jats:italic>web server extracts information about dynamic properties of a protein based on information derived from a single-crystal structure. It does so by analyzing the spatial distribution of individual atomic thermal parameters present in an input structural model. The server partitions the protein structure into multiple, contiguous chain segments, each segment corresponding to one group in a multi-group description of the protein's overall dynamic motion. For each polypeptide chain of the input protein, the analysis generates the optimal partition into two segments, three segments, … up to 20 segments. Each such partition is optimal in the sense that it is the best approximation of the overall spatial distribution of input thermal parameters in terms of<jats:italic>N</jats:italic>chain segments, each acting as a rigid group undergoing TLS (translation/libration/screw) motion. This multi-group TLS model may be used as a starting point for further crystallographic refinement, or as the basis for analyzing inter-domain and other large-scale motions implied by the crystal structure.</jats:p>
収録刊行物
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- Journal of Applied Crystallography
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Journal of Applied Crystallography 39 (1), 109-111, 2006-01-12
International Union of Crystallography (IUCr)