Molecular Modelling of G Protein-Coupled Receptors Through the Web

Authors

  • David Rodríguez,

    1. Fundación Pública Galega de Medicina Xenómica (FPGMX), Hospital Clínico Universitario de Santiago pl-2, A Choupana s/n, 15706-Santiago de Compostela, Spain phone/fax: +34-981951491/73
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  • Xabier Bello,

    1. Fundación Pública Galega de Medicina Xenómica (FPGMX), Hospital Clínico Universitario de Santiago pl-2, A Choupana s/n, 15706-Santiago de Compostela, Spain phone/fax: +34-981951491/73
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  • Hugo Gutiérrez-de-Terán

    Corresponding author
    1. Fundación Pública Galega de Medicina Xenómica (FPGMX), Hospital Clínico Universitario de Santiago pl-2, A Choupana s/n, 15706-Santiago de Compostela, Spain phone/fax: +34-981951491/73
    • Fundación Pública Galega de Medicina Xenómica (FPGMX), Hospital Clínico Universitario de Santiago pl-2, A Choupana s/n, 15706-Santiago de Compostela, Spain phone/fax: +34-981951491/73
    Search for more papers by this author

Abstract

With the recent crystallization of several G Protein-Coupled receptors (GPCRs), homology modelling and all atom molecular dynamics (MD) simulations have proven their usefulness for exploring the structure and function of this superfamily of membrane receptors. Subsequently, automated computational protocols have been implemented as web-based servers in the recent years to produce reliable models of GPCRs, providing partial or global solutions for the structural characterization and molecular simulation of GPCRs. These dedicated modelling services represent an attractive tool for the broader community of public researchers and pharmaceutical companies, in order to assist in the structure-based drug design of GPCRs. We here collect and analyze the existing web servers, among which a previously unreported service, GPCR-ModSim, offers for the first time full atom MD simulations in the pipeline for GPCR molecular modelling.

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