Computing the Pathogenicity of Alzheimer's Disease Presenilin 1 Mutations. - Ning Tang; Budheswar Dehury; Kasper P. Kepp (J. Chem. Inf. Model., 2019)

DBCOVP: A database of coronavirus virulent glycoproteins. - Susrita Sahoo; Soumya Ranjan Mahapatra; Bikram Kumar Parida; Satyajit Rath; Budheswar Dehury; Vishakha Raina; Nirmal Kumar Mohakud; Namrata Misra; Mrutyunjay Suar (Comput. Biol. Medicine, 2021)

Exploiting the potential of natural polyphenols as antivirals against monkeypox envelope protein F13 using machine learning and all-atoms MD simulations. - Madhusmita Rout; Sarbani Mishra; Suchanda Dey; Mahender Kumar Singh; Budheswar Dehury; Sanghamitra Pati (Comput. Biol. Medicine, 2023)

Classical molecular dynamics simulation identifies catechingallate as a promising antiviral polyphenol against MPOX palmitoylated surface protein. - Sarbani Mishra; Madhusmita Rout; Mahender Kumar Singh; Budheswar Dehury; Sanghamitra Pati (Comput. Biol. Chem., 2024)