Shweata Maurya

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Publications (6)

• An integrated multiscale computational framework deciphers SARS-CoV-2 resistance to sotrovimab
  Biophysical Journal 2026 DOI: 10.1016/j.bpj.2025.05.015
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• Integrated all-atom and coarse-grained simulations uncover structural, dynamics and energetic shifts in SARS-CoV-2 JN.1 and BA.2.86 variants
  Acta Tropica 2024 DOI: 10.1016/j.actatropica.2024.107444
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• Bebtelovimab‐bound SARS‐CoV‐2 RBD mutants: resistance profiling and validation with escape mutations, clinical results, and viral genome sequences
  FEBS Letters 2024 DOI: 10.1002/1873-3468.14990
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• Interface design of SARS-CoV-2 symmetrical nsp7 dimer and machine learning-guided nsp7 sequence prediction reveals physicochemical properties and hotspots for nsp7 stability, adaptation, and therapeutic design
  Physical Chemistry Chemical Physics 2024 DOI: 10.1039/D4CP01014K
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• Uncovering the secrets of resistance: An introduction to computational methods in infectious disease research
  2024 DOI: 10.1016/bs.apcsb.2023.11.004
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• Interface‐Guided Computational Protein Design Reveals Bebtelovimab‐Resistance Mutations in SARS‐CoV‐2 RBD: Correlation with Global Viral Genomes and Bebtelovimab‐Escape Mutations
  ChemistrySelect 2023 DOI: 10.1002/slct.202302906
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