NITheP  cordially  invites  you  to  a  seminar  by:     Dr. Giuseppe Pellicane University of KwaZulu-Natal, School of Chemistry & Physics, PMB campus

Date:  Friday,  9th  November  2012  Time:  11h30  –  12h30    Venue:  NITheP  Seminar  Room,  H-­‐Block,  3rdFloor    

Title:  Protein Interactions in Atomistic Studies of Lysozyme Solutions  Abstract:    Protein-protein interactions arising from hydrophobic spots on the protein surface are thought to be relevant in determining ordered (crystal phase) and disordered (gels, concentrated protein domains, etc.) protein structures in solution. Atomistic computer simulation studies with explicit solvent are promising in order to develop accurate, site-distributed models where the degrees of freedom of the solvent and of any electrolyte added to the solution have been averaged out. Such coarse-grained models can be eventually used in computer simulations again, in order to access longer time and length scales. In fact, the number of atomistic-detailed proteins is limited to one or two molecules, whereas phase transitions are collective phenomena involving many particles and extended time scales. The goal of this presentation is to highlight some aspects of protein interactions by using both equilibrium and non-equilibrium methods. Tea/coffee & biscuits will be served at 11h00