Webina

Webina performs molecular docking by running AutoDock Vina algorithms compiled to JavaScript/WebAssembly to execute docking calculations locally in a web browser.

Key Features:

• AutoDock Vina implementation: Encapsulates AutoDock Vina's core docking algorithms for pose generation and scoring.
• JavaScript/WebAssembly compilation: Compiles AutoDock Vina into a JavaScript/WebAssembly library for in-browser execution.
• Local execution: Executes docking calculations on the user's local machine via WebAssembly rather than on remote servers.
• Docking parameter support: Allows configuration of docking parameters for AutoDock Vina runs.
• Molecular docking capability: Performs small-molecule to macromolecule docking computations for predicting binding interactions.

Scientific Applications:

• Molecular docking: Predicts binding poses and estimates relative affinities of small molecules to macromolecular targets such as proteins and nucleic acids.
• Drug discovery and development: Supports hit identification and lead optimization workflows by enabling virtual screening and binding-mode analysis.

Methodology:

AutoDock Vina's algorithms are compiled to and executed as a JavaScript/WebAssembly library in the browser, performing docking calculations locally on the user's machine.