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In silico drug design by integrated technology

Galux drug design technology is based on fundamental physical principles, so it covers all areas of protein drug, peptide drug, and small-molecule drug design.

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Protein drug design

Protein–protein interactions (PPIs) are increasingly being targeted by pharmaceutical companies. Galux has a specialized software to predict protein-protein interaction , which can be used to design new protein drugs efficiently. Galux's protein-protein interaction prediction method showed outstanding performance in CAPRI international competitions.

Peptide drug design

Protein-peptide interaction prediction method in Galux enables accurate prediction of protein-peptide complex structure and binding affinity. Peptide and peptidomimetic drugs can be rationally designed using our software. Galux's protein-peptide interaction prediction method showed outstanding performance in CAPRI international competitions.

Small-molecule drug design

Galux small-molecule drug design software is built on prediction of atomistic interactions of protein and small molecules by physics-inspired deep learning methods. Galux protein-ligand interaction showed outstanding performances in international competitions such as GPCRDock and CSAR.

Galux Drug Design Software

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Protein structure prediction

  • GaluxFold,​ GaluxTBM, GaluxDBM: Protein monomer structure prediction

  • GaluxRefine: High resolution structure refinement

  • GalaxyLoop: Protein loop modeling

  • GalaxyDomDock: Domain orientation prediction

Protein-protein interaction prediction

  • GalaxyHomomer, GalaxyHetermoer, GalaxyTongDock: Oligomer complex structure prediciton​

  • GalaxyRefineComplex: Oligomer structure refinement

Protein-peptide interaction prediction

  • ​GalaxyPepDock: Protein-peptide complex structure prediction

  • GaluxPepMimic: Peptidomimetic compound design

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Protein-small molecule interaction prediction

  • GalaxyDock: protein-small molecule complex structure prediction​

  • GaluxVS: High-throughput virtual screening

  • GalaxySagittarius: Drug repositioning.

  • Galaxy7TM: Ligand docking to G protein-coupled receptors

  • GalaxyWater: Water interaction prediction

  • GalaxySite: Protein binding site prediction

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Papers related to Galux technology

Protein structure prediction

  • G. R. Lee, J. Won, L. Heo, and C. Seok, GalaxyRefine2: Simultaneous refinement of inaccurate local regions and overall protein structure, Nucleic Acids Res. (2019).

  • G. R. Lee, L. Heo, and C. Seok, Effective protein model structure refinement by loop modeling and overall relaxation, Proteins: Structure, Function, and Bioinformatics (2016). 

  • H. Park, G. R. Lee, L. Heo, and C. Seok, Protein loop modeling using a new hybrid energy function and its application to modeling in inaccurate structural environments, PLoS ONE (2014).

  • J. Ko, H. Park, and C. Seok, GalaxyTBM: template-based modeling by building a reliable core and refining unreliable local regions, BMC Bioinformatics (2012).

  • J. Ko, H. Park, L. Heo, and C. Seok, GalaxyWEB server for protein structure prediction and refinement, Nucleic Acids Res. (2012).

  • H. Park and C. Seok, Refinement of unreliable local regions in template-based protein models, Proteins: Structure, Function, and Bioinformatics (2012).

  • L. Heo, H. Park, and C. Seok, GalaxyRefine: Protein structure refinement driven by side-chain repacking, Nucleic Acids Res. (2013).

  • J. Ko, D. Lee, H. Park, E. A. Coutsias, J. Lee, and C. Seok, The FALC-Loop web server for protein loop modeling, Nucleic Acids Res. (2011).

  • J. Lee, D. Lee, H. Park, E. A. Coutsias, and C. Seok, Protein loop modeling by using fragment assembly and analytical loop closure, Proteins: Structure, Function, and Bioinformatics (2010).

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