Dr. Giovanni Bussi, Scuola Internazionale Superiore di Studi Avanzati-SISSA

RNAs in silico: What can we learn from accelerated molecular simulations

RiboEvo Seminar Series

Ribonucleic acid (RNA) is acquiring a larger importance in cell biology, as more functions that it accomplishes are discovered. However, experimental characterization of RNAs dynamical behavior at atomistic level is difficult. Molecular simulations at atomistic details, in combination with state-of-the-art free-energy techniques, can bridge the gap providing an unparalleled perspective on the mechanism and dynamics of RNA folding and conformational transitions.
Recent applications of these techniques to RNA unwinding [1], RNA/peptide binding [2] and purine riboswitch mechanism of action will be presented.
[1] Colizzi and Bussi, "RNA Unwinding from Reweighted Pulling Simulations" J. Am. Chem. Soc. (2012), 134, 5173.
[2] Do, Carloni, Varani and Bussi, "RNA/peptide binding driven by electrostatics - Insight from bi-directional pulling simulations" J. Chem. Theory Comput. ASAP, doi:10.1021/ct3009914 (2013).

For more information contact Prof. Loren Williams (404-385-6258).