TY - T1 - Membrane-Dependent Binding and Entry Mechanism of Dopamine into Its Receptor SN - / UR - http://hdl.handle.net/10138/326578 T3 - A1 - Lolicato, Fabio; Juhola, Hanna; Zak, Agata; Postila, Pekka A.; Saukko, Annina; Rissanen, Sami; Enkavi, Giray; Vattulainen, Ilpo; Kepczynski, Mariusz; Rog, Tomasz A2 - PB - Y1 - 2020 LA - eng AB - Synaptic neurotransmission has recently been proposed to function via either a membrane-independent or a membrane-dependent mechanism, depending on the neurotransmitter type. In the membrane-dependent mechanism, amphipathic neurotransmitters first partition to the lipid headgroup region and then diffuse along the membrane plane to their membrane-buried receptors. However, to date, this mechanism has not been demonstrated for any neurotransmitter-receptor complex. Here, we combined isothermal cal... VO - IS - SP - OP - KW - synaptic neurotransmission; ligand entry pathway prediction; lipid membrane; molecular dynamics; random acceleration molecular dynamics; umbrella sampling; PARTICLE MESH EWALD; ATOM FORCE-FIELD; MOLECULAR-DYNAMICS; POTENTIAL FUNCTIONS; MELATONIN; AFFINITY; PATHWAYS; CALCIUM; GROMACS; RELEASE; 114 Physical sciences N1 - PP - ER -