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231224s2012 xx |||||o 00| ||eng c |
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|a 10.1002/jcc.22948
|2 doi
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|a pubmed25n0719.xml
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|a eng
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|a Wagener, Markus
|e verfasserin
|4 aut
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|a Flexible protein-ligand docking using the Fleksy protocol
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|c 2012
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
|b c
|2 rdamedia
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|a ƒa Online-Ressource
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|2 rdacarrier
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|a Date Completed 22.06.2015
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|a Date Revised 03.11.2014
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|a published: Print-Electronic
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|a Citation Status MEDLINE
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|a Copyright © 2012 Wiley Periodicals, Inc.
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|a Considering protein plasticity is important in accurately predicting the three-dimensional geometry of protein-ligand complexes. Here, we present the first public release of our flexible docking tool Fleksy, which is able to consider both ligand and protein flexibility in the docking process. We describe the workflow and different features of the software and present its performance on two cross-docking benchmark datasets
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|a Journal Article
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|a docking
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|a induced fit
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|a ligand
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|a modeling
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|a protein
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|a Ligands
|2 NLM
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|a Proteins
|2 NLM
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|a Vlieg, Jacob de
|e verfasserin
|4 aut
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|a Nabuurs, Sander B
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Journal of computational chemistry
|d 1984
|g 33(2012), 12 vom: 05. Mai, Seite 1215-7
|w (DE-627)NLM098138448
|x 1096-987X
|7 nnns
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|g volume:33
|g year:2012
|g number:12
|g day:05
|g month:05
|g pages:1215-7
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|u http://dx.doi.org/10.1002/jcc.22948
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