Assessment of structurally and functionally high-risk nsSNPs impacts on human bone morphogenetic protein receptor type IA (BMPR1A) by computational approach. - Md. Jahirul Islam; Md. Rimon Parves; Shafi Mahmud; Fahmida Alam Tithi; Md. Abu Reza (Comput. Biol. Chem., 2019)

Virtual screening and molecular dynamics simulation study of plant-derived compounds to identify potential inhibitors of main protease from SARS-CoV-2. - Shafi Mahmud; Mohammad Abu Raihan Uddin; Gobindo Kumar Paul; Sharmin Sultana Shimu; Saiful Islam; Ekhtiar Rahman; Ariful Islam; Md Samiul Islam; Maria Meha Promi; Talha Bin Emran; Md. Abu Saleh (Briefings Bioinform., 2021)

A molecular modelling approach for identifying antiviral selenium-containing heterocyclic compounds that inhibit the main protease of SARS-CoV-2: an in silico investigation. - Ahmed Rakib; Zulkar Nain; Saad Ahmed Sami; Shafi Mahmud; Ashiqul Islam; Shahriar Ahmed; Adnan Bin Faisul Siddiqui; S. M. Omar Faruque Babu; Payar Hossain; Asif Shahriar; Firzan Nainu; Talha Bin Emran; et al. (Briefings Bioinform., 2021)

Screening of Potent Phytochemical Inhibitors Against SARS-CoV-2 Main Protease: An Integrative Computational Approach. - Shafi Mahmud; Md. Robiul Hasan; Suvro Biswas; Gobindo Kumar Paul; Shamima Afrose; Mohsana Akter Mita; Sharmin Sultana Shimu; Maria Meha Promi; Umme Hani; Mohamed Rahamathulla; Md. Arif Khan; Shahriar Zaman; et al. (Frontiers Bioinform., 2021)

phytochemdb: a platform for virtual screening and computer-aided drug designing. - Shafi Mahmud; Gobindo Kumar Paul; Suvro Biswas; Taheruzzaman Kazi; Shafquat Mahbub; Mohasana Akter Mita; Shamima Afrose; Ariful Islam; Sheikh Ahaduzzaman; Md. Robiul Hasan; Sharmin Sultana Shimu; Maria Meha Promi; et al. (Database J. Biol. Databases Curation, 2022)