The MARTINI coarse-grained force field: principles and applications to membranes
Staff - Faculty of Informatics
Start date: 10 May 2011
End date: 11 May 2011
The Faculty of Informatics (USI) and the Department of Innovative Technologies (SUPSI) are pleased to announce a seminar given by Luca Monticelli
DATE: Tuesday, May 10th 2011
PLACE: USI Università della Svizzera italiana, room A14, Red building (Via G. Buffi 13)
TIME: 11.00
ABSTRACT:
Molecular simulations are an important tool in the interpretation of experimental data, as they provide information on structure and dynamics at very high spatial and time resolution. A large number of phenomena of interest in physics, chemistry and biology take place on length and time scales that are not yet accessible to computer simulations at the atomistic level. Coarse-graining enables an approximate description of molecular systems on significantly longer time and length scales. I will describe the MARTINI coarse-grained model, highlighting the basic principles, some applications to biological systems and the main limitations. As for applications, I will present large scale simulations of fullerene, describing its interaction with lipid membranes and the possible mechanisms of cell membrane damage.
BIO:
Dr. Monticelli is a Researcher (CR1) at INSERM, Paris (France) since 2009. His main scientific interests are in the field of membrane biophysics and in the interaction between biological membranes and nano-sized particles, including both biological and synthetic macromolecules. This multi-disciplinary research is coupled to the development of computational methodologies for the study of biological systems.
HOST: Prof. Andrea Danani, Laboratory of Applied Mathematics and Physics, DTI-SUPSI, in collaboration with Prof. Rolf Krause, USI
