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Publications

Biswas, AD; Catte, A; Mancini, G; Barone, V.. 2021. Analysis of L-DOPA and droxidopa binding to human β2-adrenergic receptor. Biophysical journal. doi: 10.1016/j.bpj.2021.11.007. (https://doi.org/10.1016/j.bpj.2021.11.007)


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
Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 4LDO Active Homo sapiens Apoform Structure of beta2 adrenoceptor 117655 POPC CHL1 1.00 GROMACS 2019.6 CHARMM CHARMM36m Andrea Catte, University of Cagliari Report
Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 4LDO Active Homo sapiens Apoform Structure of beta2 adrenoceptor 117655 POPC CHL1 1.00 GROMACS 2019.6 CHARMM CHARMM36m Andrea Catte, University of Cagliari Report
Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 4LDO Active Homo sapiens Apoform Structure of beta2 adrenoceptor 117652 POPC CHL1 1.00 GROMACS 2019.6 CHARMM CHARMM36m Andrea Catte, University of Cagliari Report
Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 4LDO Active Homo sapiens Apoform Structure of beta2 adrenoceptor 117654 POPC CHL1 1.00 GROMACS 2019.6 CHARMM CHARMM36m Andrea Catte, University of Cagliari Report
Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 4LDO Active Homo sapiens Apoform Structure of beta2 adrenoceptor 117651 POPC CHL1 1.00 GROMACS 2019.6 CHARMM CHARMM36m Andrea Catte, University of Cagliari Report

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