This server was created to allow any researcher with interest in GPCRs and other membrane proteins to obtain the most accurate structural and dynamic information for a given receptor. Here, you can generate a AI assisted 3D model of your query sequence for ANY MEMBRANE PROTEIN, and/or further equilibrate your structure with our all-atom Molecular Dynamics (MD) simulation protocol.

If this is your first time here, we encorage you to register as a new user, this is NOT COMPULSORY (you can continue as anonymous), but will allow an extended experience with your projects being saved, etc. You should also take 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). If you are a registered user, you can also continue working on your existing project.

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

  1. Remco L van den Broek, Xabier Bello, Rebecca V Küpper, Gerard JP van Westen, Willem Jespers, Hugo Gutiérrez-de-Terán. Memprot. GPCR-ModSim: modelling and simulation of membrane proteins in a nutshell. Bioinformatics (2024) 40:btae662

References of previous versions of GPCR-ModSim:

  1. Mauricio Esguerra, Alexey Siretskiy, Xabier Bello, Jessica Sallander, Hugo Gutiérrez-de-Terán. GPCR-ModSim: A comprehensive web based solution for modeling G-protein coupled receptors. Nucl Ac Res (2016) 44:W455-62
  2. Rodríguez, D.; Bello, X; Gutiérrez-de-Terán H. Modeling G Protein-Coupled Receptors Through the Web. Mol. Inf. (2012), 31:334–41.
  3. 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

This project is part of our research in membrane receptors, and has received funding from the Carl Trygger Foundation. We also appreciate the support from the Computational and Systems Biology 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 Membrane Receptor modeling!