Sunita Muduli
Postdoctoral Research Associate at Indian Institute Of Science Iisc
Based in Bengaluru, India
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Seniority
Staff
Department
Research & Development
Location
Bengaluru
Industry
Research
Company size
6.9K
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s•••••••@iisc.ac.in
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Background
About Sunita Muduli
I work in the field of Computational Chemistry in Molecular Biology. My research area is mainly focused on the study of conformational dynamics of biomolecules through Molecular Dynamics Simulations and investigation of the catalysis of the new and novel class of enzymes of natural biosynthetic pathways of importance with hybrid QM/MM-MD approach which will shed light on the discovery of potential antibiotic targets to deal with the antimicrobial resistant infections. I am currently investigating the impact of glycan dynamics on the recognition and binding mechanisms of broadly neutralizing antibodies (bNAbs) with the HIV-1 envelope spike protein, with a focus on clade-specific variations. Additionally, my research explores the structural transitions and dynamic evolution of membrane-bound pore-forming proteins, such as α-hemolysin, particularly the conformational shift from the pre-pore to pore state by using enhanced-sampling methods.
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