A fast docking tool based on the efficient optimization algorithm of Particle Swarm Intelligence and the framework of AutoDock Vina. Based on the initial PSO implementation, our PSOVina method has undergone several important improvements to enhance the docking accuary and achieve remarkable efficiency as compared to the original AutoDock Vina.
https://cbbio.online/software/psovina/index.html

Features

  • Much faster than AutoDock Vina with better or similar accuracy
  • Suitable for protein-ligand docking and virtual screening
  • Latest version PSOVina-2.0 embeds Singer chaotic function in global search and efficient 2-stage method in local search
  • Achieve 6-7x speedup than Vina

Project Samples

Ligand pose prediction Docking repeats Run time performance PSOVina-2.0 vs. Vina Run time performance PSOVina-2.0 vs. Vina Virtual screening performance

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Additional Project Details

Registered

2016-04-25
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