This server was created to allow any researcher with interest in GPCRs to obtain the most accurate structural and dynamic information for a given receptor. Here, you can generate a homology-based 3D model of your query GPCR sequence, and/or further equilibrate your GPCR structure with our all-atom Molecular Dynamics simulation protocol.

If this is your first time here, please register as a new user, and allow a brief tour through our tutorial.

Afterwards you can log in to your account and create a new project from a GPCR sequence, or from an already existing GPCR structure (MD simulations project) or else continue working on your existing project.

If you use this server for your research, please cite the following main reference:

  1. Esguerra M., Siretskiy A., Bello X., Sallander J. and Gutiérrez-de-Terán H. GPCR-ModSim: A comprehensive web based solution for modeling G-protein coupled receptors. Nucl. Ac. Res. (2016), 44:iW455-W462 Open Source

  2. Additional references:

  3. Rodríguez, D.; Bello, X; Gutiérrez-de-Terán H. Modeling G Protein-Coupled Receptors Through the Web. Mol. Inf. (2012), 31:334–41. On line version
  4. Gutiérrez‑de‑Terán, H.; Bello, X.; Rodríguez, D. Characterization of the dynamic events of GPCRs by automated computational simulations. Biochem. Soc. Transac. (2013), 41:205-212 Link: Pubmed

This project is part of our research in membrane receptors, and has recieved funding from the Carl Trygger Foundation. We also appreciate the support from the Computational Biology and Bioinformatics program (ICM, Uppsala University) and the Swedish strategic research programme eSSENCE. For more information, follow the links to know more about us and about the GPCR-ModSim project.

If you have any questions, please follow our FAQ or use our feedback system.

Happy GPCR modeling!