A deep learning model that accurately predicts vesicle-vesicle fusion and accelerates molecular dynamics simulations

Fusion of vesicle and target membranes to release neurotransmitters and other contents is central to exocytosis for neurotransmission, hormone secretion and other processes. The core components of the cellular fusion machinery are the SNARE proteins. Fusion glycoproteins with mechanistic parallels are used by SARS-CoV-2 and other enveloped viruses for cell entry.