Seminar by Prof. Valeri Barsegov, University of Massachusetts Lowell, USA on “Force Spectroscopy *in silico*: exploring strength, deformability, toughness and mechanical fatigue of biological nanoparticles”.

04 Apr 2024
Seminar Room # 350, second floor annex

Speaker: Prof. Valeri Barsegov
University of Massachusetts Lowell, USA

Title: “Force Spectroscopy *in silico*: exploring strength,
deformability, toughness and mechanical fatigue of
biological nanoparticles”.

Day and Date: Thursday, April 04, 2024

Time: 11.00 am.

Venue: Room no. 350, Chemistry Department
Second floor, Annex
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Hosted by Prof. Pradeepkumar P. I.

Talk Title : “Force Spectroscopy *in silico*: exploring strength, deformability, toughness and mechanical fatigue of biological nanoparticles”.
Abstract
Mechanical testing experiments *in silico* provide high-resolution view of dynamic processes in biological nanomaterials to enable researchers to explore their mechanical and material properties. First, the computational aspects of the biomaterials structure modelling and high-performance computing will be described. Second, Fluctuating Nonlinear Spring model for describing mechanical deformation of biological nanoparticles will be presented. These approaches are applied to the protein nanoshells of bacteriophage P22, Human Adenovirus and Herpes Simplex viruses. Finally, a computational approach to “fatigue testing *in silico*” will be described. This approach is applied to encapsulin nanocompartment, Cowpea Chlorotic Mottle Virus (CCMV) nanoshell, and microtubule (MT) filament to describe their damage-dependent biomechanics and material properties.