Computational mechanics of viral capsids

Area of Science:

• Biophysics
• Computational Mechanics
• Structural Biology

Background:

• Viral capsids experience substantial mechanical stress during their life cycle.
• Experimental methods like Atomic Force Microscope (AFM) indentation are used to study capsid mechanics.
• Continuum mechanics offers a theoretical framework to analyze nanoscale structures.

Purpose of the Study:

• To construct continuum mechanics models for viral capsids using experimental data.
• To explore the application of continuum elasticity theory to nanometer-scale viral structures.
• To showcase the predictive power of Finite Element models for viral capsid mechanics.

Main Methods:

• Developing continuum mechanics models for viral capsids.
• Incorporating experimental data into model construction.
• Utilizing Finite Element Analysis (FEA) for numerical discretization and simulation.
• Simulating Atomic Force Microscope (AFM) indentation experiments.

Main Results:

• Demonstrated the construction of viral capsid continuum mechanics models.
• Discussed key modeling aspects: kinematics, reference configuration, constitutive laws, and numerical discretization.
• Showcased the predictive capabilities of FEA models through examples.
• Highlighted practical considerations for model efficiency and accuracy.

Conclusions:

• Continuum mechanics provides valuable insights into viral capsid mechanics at the nanometer scale.
• FEA models, informed by experimental data, can accurately predict capsid behavior under force.
• Simulations of AFM experiments yield significant findings on viral structure mechanics.