Size-Dependent Conformational Features of Aβ17-42 Protofilaments from Molecular Simulation Studies. - Prabir Khatua; Sudipta Kumar Sinha; Sanjoy Bandyopadhyay (J. Chem. Inf. Model., 2017)

Effects of Metal Ions on Aβ42 Peptide Conformations from Molecular Simulation Studies. - Prabir Khatua; Souvik Mondal; Sanjoy Bandyopadhyay (J. Chem. Inf. Model., 2019)

Exploring Heterogeneous Dynamical Environment around an Ensemble of Aβ42 Peptide Monomer Conformations. - Prabir Khatua; Madhulika Gupta; Sanjoy Bandyopadhyay (J. Chem. Inf. Model., 2022)

Exploration of the Nucleation Pathway for Supramolecular Fibers. - Phu K. Tang; Prabir Khatua; Vincenzo Carnevale; Sharon M. Loverde (J. Chem. Inf. Model., 2023)