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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 wikiPageExternalLink dock.compbio.ucsf.edu.
- DOCK wikiPageExternalLink dock6_manual.htm.
- DOCK wikiPageExternalLink Rizzo_Lab_Information_and_Tutorials.
- DOCK wikiPageExternalLink Main_Page.
- DOCK wikiPageID "26425029".
- DOCK wikiPageRevisionID "598812207".
- DOCK hasPhotoCollection DOCK.
- DOCK subject Category:Molecular_modelling.
- DOCK subject Category:Molecular_modelling_software.
- 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=598812207.
- DOCK isPrimaryTopicOf DOCK.