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Publications

Ainoleena Turku; Hannes Schihada; Pawel Kozielewicz; Carl-Fredrik Bowin; Gunnar Schulte. 2021. Residue 6.43 defines receptor function in class F GPCRs. Nature communications 12 (1). doi: 10.1038/s41467-021-24004-z. (https://doi.org/10.1038/s41467-021-24004-z)


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
Frizzled-6 fzd6_human O60353 Frizzled F Homology model Homo sapiens Apoform Frizzled-6 modeled from human Smoothened receptor 149361 POPC 1.25 GROMACS 2019.2 CHARMM36, GAFF2 CHARMM36, GAFF2 Schulte lab, Karolinska Institutet Report
Frizzled-6 fzd6_human O60353 Frizzled F Homology model Homo sapiens Apoform Frizzled-6 149367 POPC 1.25 GROMACS 2019.2 CHARMM36, GAFF2 CHARMM36, GAFF2 Schulte lab, Karolinska Institutet Report
Frizzled-6 fzd6_human O60353 Frizzled F Homology model Homo sapiens Apoform Frizzled-6 149297 POPC 0.50 GROMACS 2019.2 CHARMM36, GAFF2 CHARMM36, GAFF2 Schulte lab, Karolinska Institutet Report
Frizzled-6 gnas2_human fzd6_human P63092 O60353 Frizzled F Homology model Homo sapiens Complex Frizzled-6 in complex wih miniGs/i 183402 POPC 0.55 GROMACS 2019.2 CHARMM36, GAFF2 CHARMM36, GAFF2 Schulte lab, Karolinska Institutet Report
Smoothened homolog smo_human Q99835 Frizzled F 6OT0 Active Homo sapiens Apoform human Smoothened receptor 156405 POPC 1.25 GROMACS 2019.2 CHARMM36, GAFF2 CHARMM36, GAFF2 Schulte lab, Karolinska Institutet Report
Smoothened homolog smo_human Q99835 Frizzled F 6OT0 Active Homo sapiens Apoform uman Smoothened receptor 156399 POPC 1.25 GROMACS 2019.2 CHARMM36, GAFF2 CHARMM36, GAFF2 Schulte lab, Karolinska Institutet Report

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