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231223s2005 xx ||||| 00| ||eng c |
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|a pubmed24n0520.xml
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|a (DE-627)NLM155945769
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|a (NLM)15954080
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|a DE-627
|b ger
|c DE-627
|e rakwb
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|a eng
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| 100 |
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|a Li, Hongzhi
|e verfasserin
|4 aut
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|a SCUD
|b fast structure clustering of decoys using reference state to remove overall rotation
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|c 2005
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|a Text
|b txt
|2 rdacontent
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|a ohne Hilfsmittel zu benutzen
|b n
|2 rdamedia
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|a Band
|b nc
|2 rdacarrier
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| 500 |
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|a Date Completed 28.07.2005
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|a Date Revised 14.11.2007
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|a published: Print
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|a Citation Status MEDLINE
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|a (c) 2005 Wiley Periodicals, Inc.
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|a We developed a method for fast decoy clustering by using reference root-mean-squared distance (rRMSD) rather than commonly used pairwise RMSD (pRMSD) values. For 41 proteins with 2000 decoys each, the computing efficiency increases nine times without a significant change in the accuracy of near-native selections. Tests on additional protein decoys based on different reference conformations confirmed this result. Further analysis indicates that the pRMSD and rRMSD values are highly correlated (with an average correlation coefficient of 0.82) and the clusters obtained from pRMSD and rRMSD values are highly similar (the representative structures of the top five largest clusters from the two methods are 74% identical). SCUD (Structure ClUstering of Decoys) with an automatic cutoff value is available at http://theory.med.buffalo.edu
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| 650 |
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|a Journal Article
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| 650 |
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|a Research Support, N.I.H., Extramural
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| 650 |
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|a Research Support, Non-U.S. Gov't
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| 650 |
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|a Research Support, U.S. Gov't, P.H.S.
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| 650 |
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|a Proteins
|2 NLM
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| 700 |
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|a Zhou, Yaoqi
|e verfasserin
|4 aut
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|i Enthalten in
|t Journal of computational chemistry
|d 1984
|g 26(2005), 11 vom: 24. Aug., Seite 1189-92
|w (DE-627)NLM098138448
|x 1096-987X
|7 nnns
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| 773 |
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|g volume:26
|g year:2005
|g number:11
|g day:24
|g month:08
|g pages:1189-92
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|a AR
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|d 26
|j 2005
|e 11
|b 24
|c 08
|h 1189-92
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