LightDock is a protein-protein, protein-peptide and protein-DNA docking framework based on the Glowworm Swarm Optimization (GSO) algorithm.
The framework is written in the Python programming language (version >3.5) and allows the users to incorporate their own scoring function.
The LightDock framework is highly versatile, with many options that can be further developed and optimized by the users:
- Accepts any user-defined scoring function.
- Backbone flexibility can enabled/disabled for receptor and ligand molecules in an independent way.
- Can use local gradient-free minimization.
- The simulation can be restrained from the beginning to focus on user-assigned interacting regions, for example, transmembrane domains or highly-variable loops in antibody-antigen systems.
- Residue restraints in both receptor and ligand partners.
- Support for the use of pre-calculated conformers for both receptor and ligand.
- Support for explicit membrane docking (experimental).
Help and new features request
LightDock is in continuous development and improvement. If you experience any problem with the software, a new feature in mind or you want to collaborate, you have multiple options: