In silico drug design by integrated In silico design
Galux drug design technology employs principle-based approaches, enabling its application across protein, peptide, and small-molecule drug design.



Protein drug design
Protein–protein interactions (PPIs) are increasingly targeted in pharmaceutical development. Galux utilizes precise PPI prediction to enable the efficient design of therapeutics based on engineered or newly designed proteins. By integrating advanced deep learning-based structure prediction and design technology, Galux is well-positioned to drive further innovation in this field.
Peptide drug design
Galux's protein-peptide interaction prediction method enables accurate prediction of protein-peptide complex structures and binding affinities, facilitating the rational design of peptide and peptidomimetic drugs. Galux's technology has demonstrated outstanding performance in CAPRI international competitions.
Small-molecule drug design
Galux's small-molecule drug design software leverages physics-inspired deep learning methods to predict atomistic interactions between proteins and small molecules. Galux's protein-ligand interaction predictions have demonstrated outstanding performance in international competitions, including GPCRDock and CSAR.
Galux Drug Design Software

Molecule design
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GaluxAbDesign: Target-specific antibody design
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GaluxBioDesign: Protein property modulation
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GalaxyLoop: Enzyme design
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GalaxyDomDock: Small molecule drug design

Protein structure prediction
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GaluxFold, GaluxTBM, GaluxDBM: Protein monomer structure prediction
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GaluxRefine: High resolution structure refinement
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GalaxyLoop: Protein loop modeling
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GalaxyDomDock: Domain orientation prediction
Protein-protein interaction prediction
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GalaxyHomomer, GalaxyHetermoer, GalaxyTongDock: Oligomer complex structure prediciton
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GalaxyRefineComplex: Oligomer structure refinement

Protein-peptide interaction prediction
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GalaxyPepDock: Protein-peptide complex structure prediction
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GaluxPepMimic: Peptidomimetic compound design

Protein-small molecule interaction prediction
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GalaxyDock: protein-small molecule complex structure prediction
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GaluxVS: High-throughput virtual screening
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GalaxySagittarius: Drug repositioning.
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Galaxy7TM: Ligand docking to G protein-coupled receptors
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GalaxyWater: Water interaction prediction
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GalaxySite: Protein binding site prediction
