Functional annotation of putative conserved proteins from Borrelia burgdorferi to find potential drug targets. - Shama Khan; Mohammad Sarwar Jamal; Farah Anjum; Mahmood Rasool; Abulaish Ansari; Asimul Islam; Faizan Ahmad; Md. Imtaiyaz Hassan (Int. J. Comput. Biol. Drug Des., 2016)

2/3D-QSAR, molecular docking and MD simulation studies of FtsZ protein targeting benzimidazoles derivatives. - Shahzaib Ahamad; Asimul Islam; Faizan Ahmad; Neeraj Dwivedi; Md. Imtaiyaz Hassan (Comput. Biol. Chem., 2019)

Investigating pH-induced conformational switch in PIM-1: An integrated multi spectroscopic and MD simulation study. - Aanchal Rathi; Saba Noor; Shama Khan; Faizya Khan; Farah Anjum; Anam Ashraf; Aaliya Taiyab; Asimul Islam; Md. Imtaiyaz Hassan; Mohammad Mahfuzul Haque (Comput. Biol. Chem., 2024)

Inhibition potential of margolonone and isomargolonone against the dengue virus protease using molecular modeling approaches. - Gourav Choudhir; Faiza Iram; Israil; Mohammad Shahid; Anas Shamsi; Md. Imtaiyaz Hassan; Asimul Islam (Frontiers Bioinform., 2025)