Structural Modulation and Binding of HLA-DQ8 by Cysteine-to-Serine Mutated Insulin Peptide: Insights from Molecular Dynamics Simulations Article

Mittal, Rahul, Karki, Ukesh, Lemos, Joana RN et al. (2026). Structural Modulation and Binding of HLA-DQ8 by Cysteine-to-Serine Mutated Insulin Peptide: Insights from Molecular Dynamics Simulations . International Journal of Molecular Sciences, 27(11), 10.3390/ijms27114846

cited authors

  • Mittal, Rahul; Karki, Ukesh; Lemos, Joana RN; Chapagain, Prem; Hirani, Khemraj

authors

publication date

  • May 27, 2026

published in

keywords

  • Biochemistry & Molecular Biology
  • Chemistry
  • Chemistry, Multidisciplinary
  • GROMACS
  • HLA DQ8
  • Life Sciences & Biomedicine
  • MHC CLASS-II
  • Physical Sciences
  • STABILITY
  • Science & Technology
  • Type 1 diabetes
  • antigen presentation
  • autoimmunity
  • binding free energy
  • insulin neoepitope
  • molecular dynamics simulation
  • peptide MHC class II interactions

Digital Object Identifier (DOI)

publisher

  • MDPI

volume

  • 27

issue

  • 11