Pharmacophore-guided computational modeling of quinolone-ATPase conjugate inhibitors targeting DNA GyrB subunit of Staphylococcus aureus. - Md. Al Amin; Md. Sakhawat Hossain; Md. Kawsar Habib; Faria Farzana Perveen; Sahinur Islam Sabuj; Hasan Imam; Sirajul Islam; Shahin Mahmud (Comput. Biol. Medicine, 2025)

In-silico exploring pathway and mechanism-based therapeutics for allergic rhinitis: Network pharmacology, molecular docking, ADMET, quantum chemistry and machine learning based QSAR approaches. - K. M. Tanjida Islam; Shahin Mahmud (Comput. Biol. Medicine, 2025)

Designing siRNA for silencing the human ERBB2 gene in cancer treatment: Evaluating intracellular delivery strategies. - A. K. M. Mohiuddin; Nadim Ferdous; Mahjerin Nasrin Reza; Md. Al Amin; Roksana Khanam; Mohammad Uzzal Hossain; Ishtiaque Ahammad; Shahin Mahmud (Comput. Biol. Medicine, 2025)

Transcriptomic dynamics of deletion mutant two-component regulator system of Mycobacterium tuberculosis and machine learning driven novel therapeutic prediction targeting PPE4 protein. - Md. Al Amin; Md. Rashedur Rahman Refat; Sirajul Islam; Shamima Akhtar Sharmin; A. K. M. Mohiuddin; Shahin Mahmud (Netw. Model. Anal. Health Informatics Bioinform., 2025)