Coarse-Grained Modeling of the Assembly and Mechanical Properties of Viruses

  1. Aznar Palenzuela, María
Dirigida por:
  1. David Reguera Director/a

Universidad de defensa: Universitat de Barcelona

Fecha de defensa: 31 de octubre de 2013

Tribunal:
  1. Ignacio Fita Rodríguez Presidente/a
  2. Ignacio Pagonabarraga Mora Secretario/a
  3. Javier Hernández Rojas Vocal

Tipo: Tesis

Teseo: 356733 DIALNET lock_openTDX editor

Resumen

The main goal of this thesis is to study the physical mechanisms implicated in the self-assembly and mechanical properties of non-enveloped viral capsids using coarse-grained models. The thesis has been divided into three main blocks discussing the physical modelling of viruses, the viral self-assembly process, and the mechanical properties of viral capsids. The thesis combines theoretical analysis, mostly developed in the first part, with different simulations, developed in the second and third parts. We have tried to discuss the results in the context of previous studies, and to compare them with experiments. In particular, the simulation of the third part on the mechanical properties of different viruses have been specifically developed to interpret experimental results obtained by atomic force microscopy (AFM) nanoindentation experiments. The first part of this thesis (Physical modeling of viruses) focuses on summarizing some common properties of viruses. Using these common properties it is possible to propose physical theories in order to gain insight into general behavior of different viral processes such as the viral architecture or self-assembly. We will review important ideas from previous works and we will introduce a new coarsegrained model and the main simulation techniques that will be used in the thesis. The second part of the thesis (Self-assembly of viruses) is dedicated to the analysis of the viral self-assembly and the physical ingredient that control this process and the final capsid shape. Part III of this thesis is dedicated to the analysis of the Mechanical proper-ties of viral capsids. During the virus life cycle, the mechanical properties of its capsid play an important role in several biological processes. The viral capsid is indispensable to protect the genetic material against environmental changes and aggressions. Hence, its mechanical response is crucial not only in the viral life cycle, but also for different biotecnological applications. In this block, we will discuss the remarkable mechanical properties of viral capsids combining theory, simulations, and experiments.