DockingApp / DockingApp RF
:: DESCRIPTION
DockingApp is a user-friendly graphical application for carrying out molecular docking and virtual screening tasks, meant to enable non-experienced users to easily perform such activities and browse the docking results via a three-dimensional visualization.
DockingApp RF is a user-friendly graphical application for carrying out molecular docking and replicated docking, meant to enable non-experienced users to easily perform such activities and browse the docking results via a three-dimensional visualization. It implements a state-of-the-art scoring function based on a Random Forest algorithm, whose effectiveness has been proven on specific use cases of molecular docking, making DockingApp RF complementary to the classic DockingApp.
:: SCREENSHOTS
::REQUIREMENTS
- Windows/Linux / MacOs
- Java
:: DOWNLOAD
:: MORE INFORMATION
Citation
Di Muzio E, Toti D, Polticelli F.
DockingApp: a user friendly interface for facilitated docking simulations with AutoDock Vina.
J Comput Aided Mol Des. 2017 Feb;31(2):213-218. doi: 10.1007/s10822-016-0006-1. Epub 2017 Jan 6. PMID: 28063067.
Macari G, Toti D, Pasquadibisceglie A, Polticelli F.
DockingApp RF: A State-of-the-Art Novel Scoring Function for Molecular Docking in a User-Friendly Interface to AutoDock Vina.
Int J Mol Sci. 2020 Dec 15;21(24):9548. doi: 10.3390/ijms21249548. PMID: 33333976; PMCID: PMC7765429.