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)

Flexibility of the Binding Regions of a Protein-DNA Complex and the Structure and Ordering of Interfacial Water. - Sandip 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)

Dynamic Heterogeneity at the Interface of an Intrinsically Disordered Peptide. - Souvik Mondal; Krishna Prasad Ghanta; Sanjoy Bandyopadhyay (J. Chem. Inf. Model., 2022)

Impact of an Ionic Liquid on Amino Acid Side Chains: A Perspective from Molecular Simulation Studies. - Krishna Prasad Ghanta; Souvik Mondal; Timir Hajari; Sanjoy Bandyopadhyay (J. Chem. Inf. Model., 2023)

Microscopic Understanding of the Conformational Stability of the Aggregated Nonamyloid β Components of α-Synuclein. - Souvik Mondal; Krishna Prasad Ghanta; Sanjoy Bandyopadhyay (J. Chem. Inf. Model., 2023)