How to predict protein dynamics from temperature factor using VMD

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  • เผยแพร่เมื่อ 8 พ.ย. 2024
  • Dr Shayon Bhattacharya has high hopes that neurodegenerative diseases will soon become manageable.
    Orderly protein self-assembly is a fundamental process in sustaining the normal functioning of cells in the human body. Yet, some of these 'sticky proteins' spontaneously turn into 'rogue' proteins which develop neurodegeneration in the brain. Shayon develops and uses cutting-edge theoretical and computer-assisted molecular modelling that mimic the shapeshifting behaviour of these neurotoxic proteins as it happens in the brain.
    He plans to learn more from the normal assembly of key proteins and derive design rules to develop drugs to reroute spontaneous and toxic protein assembly in Alzheimer’s, Parkinson’s diseases and Dementia to a controlled assembly with the overall impact of reversing the disease process.
    Shayon works in collaboration with experimental partners across Europe, he is a senior postdoctoral researcher at SSPC, SFI Research Centre for Pharmaceuticals and the Department of Physics at University of Limerick. He holds a bachelor’s degree in Pharmaceutical Sciences and a MS in Pharmacoinformatics from the National Institute of Pharmaceutical Education and Research in India and a doctorate degree in Computational Chemistry from UL.

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