Seminar by Prof. Valeri Barsegov, University of Massachusetts Lowell, USA on “Molecular Dynamics against Fibrin: what can we learn from computational modelling?”.

28 Mar 2024
Seminar Room # 350, second floor annex

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

Title: “Molecular Dynamics against Fibrin: what can we learn
from computational modelling?”.

Day and Date: Friday, March 28, 2024

Time: 16.00 hrs.

Venue: Room no. 350, Chemistry Department
Second floor, Annex

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Hosted by Prof. Pradeepkumar P. I.

Talk Title : “Molecular Dynamics against Fibrin: what can we learn from computational modelling?”.
Abstract
In this talk, Prof Barsegov will briefly describe the recent discoveries/results from his lab in the field of fibrin(ogen), which have been possible through computational modelling. He will present on forced unfolding in fibrin oligomers, fibrin alpha helix to beta sheet phase transition in coiled coils, catch-slip dynamics of the A:a knob-hole interactions in the fibrin gamma nodules, and ML based reconstruction of the atomic models of fibrin oligomers and protofibrils. Furthermore, he will introduce new computational models of fibrin network in view of clot contraction and fibrin network rupture, before briefly describing his future plans, which include the development of large-scale computational models for thrombus formation under circulating blood flow.