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SUMMARY:Effects of exogeneous perturbations on protein systems: Eliciting 
  mechanisms with molecular simulations - Prof Neelanjana Sengupta\, Indian
  Institute of Science Education and Research Kolkata
DTSTART:20220124T140000Z
DTEND:20220124T143000Z
UID:TALK167261@talks.cam.ac.uk
CONTACT:Dr Christoph Schran
DESCRIPTION:Molecular simulations have emerged as a powerful probe for und
 erstanding a vast spectrum of biomolecular  phenomena.  This  talk  will  
 highlight  our  recent  efforts  towards  unravelling molecular complexiti
 es within protein systems\, particularly those prone to self-assembly and 
 related  to  disease.  The  response  of  these  complex  systems  to  exo
 geneous  perturbations\, particularly  ‘cold’  thermal  conditions\;  
 spatial  confinement\;  chemical  modification\;  and addition of cosolven
 t will be described. Efforts towards discerning thermodynamical and dynami
 cal signatures of such influences on the surface-associated solvent molecu
 les will be \ndescribed. The emergent need to capture transition states wi
 thin biomolecular pathways\, and our efforts towards building efficient al
 gorithms\, may be additionally discussed.
LOCATION:Venue to be confirmed
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