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- DOCK abstract "The program UCSF DOCK was created in the 1980s by Irwin "Tack" Kuntz's Group, and was the first docking program. DOCK uses geometric algorithms to predict the binding modes of small molecules. Brian K. Shoichet, David A. Case, and Robert C.Rizzo are co-developers of the DOCK program.Two versions of the docking program are actively developed DOCK 6 and DOCK 3.Ligand sampling methods used by the program DOCK include. Rigid docking: shape matching, uses spheres placed in the pocket and performs bipartite matching between those spheres and the molecule (all versions). Flexible ligand is accounted for using the following methods: an algorithm called anchor and grow (v4-v6), and hierarchical docking of databases (v3.5-3.7).A molecular dynamics engine was implemented into DOCK v6 by David A. Case's Group in the scoring function amber score. This capability accounts for receptor flexibility and allows for rank ordering by energetic ensembles in the docking calculations.".
- DOCK wikiPageID "26425029".
- DOCK wikiPageLength "3914".
- DOCK wikiPageOutDegree "10".
- DOCK wikiPageRevisionID "632830626".
- DOCK wikiPageWikiLink Anchor_and_grow.
- DOCK wikiPageWikiLink AutoDock.
- DOCK wikiPageWikiLink Bipartite_matching.
- DOCK wikiPageWikiLink Category:Molecular_modelling.
- DOCK wikiPageWikiLink Category:Molecular_modelling_software.
- DOCK wikiPageWikiLink Docking_(molecular).
- DOCK wikiPageWikiLink Irwin_%22Tack%22_Kuntz.
- DOCK wikiPageWikiLink List_of_software_for_molecular_mechanics_modeling.
- DOCK wikiPageWikiLink Matching_(graph_theory).
- DOCK wikiPageWikiLink Molecular_dynamics.
- DOCK wikiPageWikiLink Molecular_modeling.
- DOCK wikiPageWikiLink Molecular_modelling.
- DOCK wikiPageWikiLinkText "DOCK".
- DOCK hasPhotoCollection DOCK.
- DOCK wikiPageUsesTemplate Template:Reflist.
- DOCK wikiPageUsesTemplate Template:Use_dmy_dates.
- DOCK subject Category:Molecular_modelling.
- DOCK subject Category:Molecular_modelling_software.
- DOCK hypernym Program.
- DOCK type Article.
- DOCK type Work.
- DOCK type Article.
- DOCK type Physic.
- DOCK comment "The program UCSF DOCK was created in the 1980s by Irwin "Tack" Kuntz's Group, and was the first docking program. DOCK uses geometric algorithms to predict the binding modes of small molecules. Brian K. Shoichet, David A. Case, and Robert C.Rizzo are co-developers of the DOCK program.Two versions of the docking program are actively developed DOCK 6 and DOCK 3.Ligand sampling methods used by the program DOCK include.".
- DOCK label "DOCK".
- DOCK sameAs m.0bbywbt.
- DOCK sameAs Q5205842.
- DOCK sameAs Q5205842.
- DOCK wasDerivedFrom DOCK?oldid=632830626.
- DOCK isPrimaryTopicOf DOCK.