Drugitt develops and provides AI-empowered drug discovery software for the prediction of native-like protein-ligand binding poses and energies with near perfect accuracy.
Your structures will be processed to add missing residues and assign correct protonation states automatically.
The AI-driven algorithm will dock your ligand(s) resulting in near-native binding poses with the HTS option.
A Hybrid Scoring Function provides protein-ligand binding energies with near-perfect accuracy.
Computations are carried out at sub-second time scales by taking advantage of CUDA Graphic Processing Units.
Users don't need a local computer cluster, Drugitt Cloud provides the computing resources through the web interface.