All atom simulations allow uncovering the molecular mechanism of complex biological molecules, supporting and expanding experimental data. In this talk I show how multiscale simulations can decipher the molecular mechanism of the (i) spliceosome, a complex protein/RNA macromolecular machinery, that removes noncoding introns from precursor messenger RNAs (pre-mRNAs) and ligates coding exons, giving rise to protein coding mRNAs and functional non-coding RNAs [1-3]; (ii) Ctr1 a transporter involved in Cu(I) internalization  and of (iii) the SARS-CoV-2 spike proteins and its variants of concerns as well as of the nsp1 protein [5-7].
Speaker: Alessandra Magistrato, SISSA – International School for Advanced Studies
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