GalaxyGPCRloop: Template-based and Ab Initio Structure Sampling of the Extracellular Loops of G-protein-coupled Receptors

Jonghun Won, Gyu Rie Lee, Hahnbeom Park, and Chaok Seok

Seoul National University

ECL models generated by GalaxyGPCRloop

These models are the results of benchmark test of GalaxyGPCRloop as described in Won et al., "GalaxyGPCRloop: Template-based and Ab Initio Structure Sampling of the Extracellular Loops of G-protein-coupled Receptors".
GalaxyGPCRloop.zip contains three sub-directories. First, crystal contains the crystal structures, whose TMH frames were assumed to be known while sampling. Second, GalaxyGPCRloop_full contains models generated by using both template-based and ab initio method. Third, GalaxyGPCRloop_ab_initio_only contains models generated by using ab initio method only.
Each model sub-directory contain models of 45 subtypes of GPCR, and each subtype has 1,000 loop models in ascending order of Galaxy7TM energy.

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References

  1. Won, Jonghun; Lee, Gyu Rie; Park, Hahnbeom; Seok, Chaok. GalaxyGPCRloop: Template-Based and Ab Initio Structure Sampling of the Extracellular Loops of G-Protein-Coupled Receptors, J. Chem. Inf. Model, 58 (6), 1234-1243 (2018).

Contact

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