Vincenzo Caroprese
MODEL SYSTEMS TO UNDERSTAND COMPLEX MULTIVALENCY.
Rel. Marco Agostino Deriu. Politecnico di Torino, Corso di laurea magistrale in Ingegneria Biomedica, 2019
Abstract
Multivalency is a key feature of many biological phenomena, from immune activation to cell adhesion on extracellular matrix. Matching receptor spacing with that of presented ligands could lead to enhanced specificity and selectivity of therapeutic and diagnostic agents. Recently, the field of DNA nanotechnology emerged as means to design particles that can spatially control ligand presentation with unprecedented nanoscale precision. To design controlled binding experiments with precise receptor spacing and ligand spacing as variables, in silico modelling of particles, surface composition and binding kinetics are fundamental. The aim of this work consists in the development of elaborate analytical models of receptor spacing over flat surfaces and the combination with molecular simulations of the ligand presenting particles.
In particular, simulations include atomistic molecular dynamics of four different nanoparticles and molecular docking of the former with the receptor surface of interest
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