Computer Simulations of a Virus Particle

Seminario

Giovedì 21 marzo 2013 alle 16.00
aula Natta
Dipartimento di Chimica, Materiali e Ingegneria Chimica
Edificio 6 piano terra
Campus Leonardo

Prof. David van der Spoel
Principale sviluppatore del popolare software di simulazione di dinamica molecolare Gromacs.

Sintesi

Virus particles structures are available from X-ray crystallography experiments. They are interesting from the point of view of disease control targeting the virus itself, but also as potential vehicles for transporting molecules for instance for combating other diseases. In addition virus capsids have interesting mechanical features and they can change morphology under changes in the environment like pH or ion concentration. Here I report on simulations of a virus capsid aimed at explaining the swelling of the virus upon removal of Ca2+ ions. In addition we are trying to incorporate the genome into a virus particle as this can not be detected by X-ray crystallography experiments.

Short cv

- Ph. D. Biophysical Chemistry, 1996, University of Groningen, The Netherlands
- Professor of Computational Molecular Biophysics 2008, Uppsala University
- Chairman of the Board, Uppsala Multidisciplinary Centre for Advanced Computational Science (UPPMAX) from 2012-01-01
- 95 papers, 11800 citations and h-index 30.

Evento tenuto in inglese