*********************************
There is now a CONTENT FREEZE for Mercury while we switch to a new platform. It began on Friday, March 10 at 6pm and will end on Wednesday, March 15 at noon. No new content can be created during this time, but all material in the system as of the beginning of the freeze will be migrated to the new platform, including users and groups. Functionally the new site is identical to the old one. webteam@gatech.edu
*********************************
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).
