Insulin mimetic peptide S371 folds into a helical structure. - Hossein Mohammadiarani; Harish Vashisth (J. Comput. Chem., 2017)

Role of Entropy in Colloidal Self-Assembly. - Brunno C. Rocha; Sanjib Paul; Harish Vashisth (Entropy, 2020)

Role of Mutations in Differential Recognition of Viral RNA Molecules by Peptides. - Amit Kumar 026; Harish Vashisth (J. Chem. Inf. Model., 2022)

Role of Dynamics and Mutations in Interactions of a Zinc Finger Antiviral Protein with CG-rich Viral RNA. - Saikat Pal; Amit Kumar 026; Harish Vashisth (J. Chem. Inf. Model., 2023)

Mechanism of Ligand Discrimination by the NMT1 Riboswitch. - Amit Kumar 026; Harish Vashisth (J. Chem. Inf. Model., 2023)

Quantitative Assessment of Energetic Contributions of Residues in a SARS-CoV-2 Viral Enzyme/Nanobody Interface. - Amit Kumar 026; Harish Vashisth (J. Chem. Inf. Model., 2024)