All-atom molecular dynamics simulations of synaptic vesicle fusion I: a glimpse at the primed Synaptotagmin-SNARE-complexin complex

Josep Rizo, Levent Sari, Yifei Qi, Wonpil Im & Milo Lin
Synaptic vesicles are primed into a state that is ready for fast neurotransmitter release upon Ca2+-binding to Syt1. This state likely includes trans-SNARE complexes between the vesicle and plasma membranes that are bound to Syt1 and complexins. However, the nature of this state and the steps leading to membrane fusion are unclear, in part because of the difficulty of studying this dynamic process experimentally. To shed light into these questions, we performed all-atom molecular dynamics...
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