QLS Seminar: Multiscale Simulations for an affordable description of virus in motion: Symmetry-related dynamics determines ZIKA and Dengue neutralization
Starts 26 Jun 2023 11:00
Ends 26 Jun 2023 12:00
Central European Time
Galileo Guest House - Fibonacci room
Via Beirut, 7
Molecular dynamics simulation running simultaneous molecular granularities drastically reduce computational costs, making the study of whole viruses available to desktop computers. I will illustrate the use of a coarse-grained force field for biomolecules to perform a set of simulations on Zika, Dengue, and other related viruses. Comparative analysis among five common viruses pinpoints a collective variable that shows similar behavior only in the 3-fold symmetry axis of the icosahedral structure and coincides with the binding site of broadly neutralizing antibodies for Zika and Dengue.
Noteworthy, this dynamical similarity is only conserved in the same symmetry region of phylogenetically close viruses, suggesting an Achilles heel for crossed neutralization of similar viruses.