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Publications

Marie-Lise Jobin, Véronique De Smedt-Peyrusse, Fabien Ducrocq, Rim Baccouch, Asma Oummadi, Maria Hauge Pedersen, Brian Medel-Lacruz, Maria-Florencia Angelo, Sandrine Villette, Pierre Van Delft, Laetitia Fouillen, Sébastien Mongrand, Jana Selent, Tarson Tolentino-Cortez, Gabriel Barreda-Gómez, Stéphane Grégoire, Elodie Masson, Thierry Durroux, Jonathan A. Javitch, Ramon Guixà-González, Isabel D. Alves, Pierre Trifilieff. 2023. Impact of membrane lipid polyunsaturation on dopamine D2 receptor ligand binding and signaling. Molecular Psychiatry. doi: 10.1038/s41380-022-01928-6.


Receptor Uniprot entry name Uniprot ID Family Class PDB ID State Species Model type Ligand(s) Model name Num. of atoms Membrane composition Accum. sim. time (µs) Software Force field Submitted by
D(2) dopamine receptor drd2_human P14416 Dopamine receptors A 6CM4 Inactive Homo sapiens Apoform Dopamine D2 receptor 43025 PSM DOPC DPPC DSPC OMEG CHL1 4.00 ACEMD 3.3.0 CHARMM CHARMM36m Ramon Guixà-González, Paul Scherrer Institut Report
D(2) dopamine receptor drd2_human P14416 Dopamine receptors A 6CM4 Inactive Homo sapiens Apoform Dopamine d2 receptor (apoform) 42931 SDPC PSM DOPC DSPC DPPC CHL1 3.73 ACEMD 3.3.0 CHARMM CHARMM36m Ramon Guixà-González, Paul Scherrer Institut Report
Guanine nucleotide-binding protein g(i)/g(s)/g(t) subunit beta-1 drd2_human P62873 Dopamine receptors A 6VMS Active Homo sapiens Complex Aripiprazole Dopamine D2 receptor in complex with aripiprazole 42983 SDPC PSM DOPC DSPC DPPC CHL1 4.00 ACEMD 3.3.0 CHARMM CHARMM36m Ramon Guixà-González, Paul Scherrer Institut Report
Guanine nucleotide-binding protein g(i)/g(s)/g(t) subunit beta-1 drd2_human P62873 Dopamine receptors A 6VMS Active Homo sapiens Complex Dopamine Dopamine D2 receptor in complex with dopamine 43136 SDPC PSM DOPC DSPC DPPC CHL1 4.17 ACEMD 3.3.0 CHARMM CHARMM36m Ramon Guixà-González, Paul Scherrer Institut Report
D(2) dopamine receptor drd2_human P14416 Dopamine receptors A 6CM4 Inactive Homo sapiens Apoform Dopamine D2 receptor (apoform) 42802 SDPC SM18 DOPC DSPC DPPC CHL1 3.61 ACEMD 3.3.0 CHARMM CHARMM36m Ramon Guixà-González, Paul Scherrer Institut Report

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