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Effects of exogeneous perturbations on protein systems: Eliciting mechanisms with molecular simulations

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  • UserProf Neelanjana Sengupta, Indian Institute of Science Education and Research Kolkata World_link
  • ClockMonday 24 January 2022, 14:00-14:30
  • HouseVenue to be confirmed.

If you have a question about this talk, please contact Dr Christoph Schran.

Zoom details: https://zoom.us/j/92447982065?pwd=RkhaYkM5VTZPZ3pYSHptUXlRSkppQT09

Molecular simulations have emerged as a powerful probe for understanding a vast spectrum of biomolecular phenomena. This talk will highlight our recent efforts towards unravelling molecular complexities within protein systems, particularly those prone to self-assembly and related to disease. The response of these complex systems to exogeneous perturbations, particularly ‘cold’ thermal conditions; spatial confinement; chemical modification; and addition of cosolvent will be described. Efforts towards discerning thermodynamical and dynamical signatures of such influences on the surface-associated solvent molecules will be described. The emergent need to capture transition states within biomolecular pathways, and our efforts towards building efficient algorithms, may be additionally discussed.

This talk is part of the Lennard-Jones Centre series.

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