Flexible protein-ligand docking using the Fleksy protocol
Copyright © 2012 Wiley Periodicals, Inc.
| Veröffentlicht in: | Journal of computational chemistry. - 1984. - 33(2012), 12 vom: 05. Mai, Seite 1215-7 |
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| Format: | Online-Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2012
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| Zugriff auf das übergeordnete Werk: | Journal of computational chemistry |
| Schlagworte: | Journal Article docking induced fit ligand modeling protein Ligands Proteins |
| Zusammenfassung: | Copyright © 2012 Wiley Periodicals, Inc. 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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| Beschreibung: | Date Completed 22.06.2015 Date Revised 03.11.2014 published: Print-Electronic Citation Status MEDLINE |
| ISSN: | 1096-987X |
| DOI: | 10.1002/jcc.22948 |