AutoDock Vina

GPTKB entity

Statements (27)
Predicate Object
gptkbp:instanceOf molecular docking software
gptkbp:application drug discovery
virtual screening
protein-ligand docking
gptkbp:citation Trott, O., & Olson, A. J. (2010). AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. Journal of Computational Chemistry, 31(2), 455-461.
gptkbp:developer Oleg Trott
gptkbp:feature gptkb:graphical_user_interface
multithreading
open source
improved scoring function
support for flexible ligand docking
support for flexible receptor side chains
gptkbp:firstReleased 2010
gptkbp:format PDBQT
https://www.w3.org/2000/01/rdf-schema#label AutoDock Vina
gptkbp:latestReleaseVersion 2023
1.2.5
gptkbp:license gptkb:Apache_License_2.0
gptkbp:maintainedBy gptkb:The_Scripps_Research_Institute
gptkbp:operatingSystem gptkb:Windows
gptkb:macOS
gptkb:Linux
gptkbp:programmingLanguage gptkb:C++
gptkbp:relatedTo gptkb:AutoDock
gptkbp:website http://vina.scripps.edu/
gptkbp:bfsParent gptkb:AutoDock_software
gptkbp:bfsLayer 8