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LeDock
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Developer(s) | Lephar |
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Operating system | Cross-platform |
Type | Molecular docking |
Website | www |
LeDock is a simple proprietary molecular docking software that can be used for docking of ligands with protein targets. LeDock supports running on 64-bit Linux, macOS, and 32-bit and 64-bit Windows.
Introduction
LeDock is based on simulated annealing and evolutionary optimization of the ligand pose and its rotatable bonds, using a knowledge-based scoring scheme derived from years of prospective virtual screening campaigns.
Performance
LeDock was evaluated in a comprehensive study of docking programs on a diverse set of 2002 protein-ligand complexes, and demonstrated high accuracy in pose prediction and user-friendly features for virtual screening and hit elaboration. 
See also
- Drug design
- Macromolecular docking
- Molecular mechanics
- Molecular modelling
- Protein structure
- Protein design
- Software for molecular mechanics modeling
- List of protein-ligand docking software
- Molecular design software
- Lead Finder
- Virtual screening
- Scoring functions for docking
External links
Computational chemistry software
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Cheminformatics |
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Chemical kinetics |
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Molecular modelling and visualization |
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Molecular docking |
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Molecular dynamics |
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Quantum chemistry |
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Skeletal structure drawing |
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Others |
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