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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)



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

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