Structure-based virtual screening of Trachyspermum ammi metabolites targeting acetylcholinesterase for Alzheimer's disease treatment. by Mohammed Sakib Musa, Md Tahsinul Islam, Wasif Billah, Md Siam Hossain, Md Shirajuce Shalakin Rahat, Imren Bayil, Yeasmin Akter Munni, Sumon Ganguli

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Computer-aided discovery of novel SmDHODH inhibitors for schistosomiasis therapy: Ligand-based drug design, molecular docking, molecular dynamic simulations, drug-likeness, and ADM... by Saudatu Chinade Ja'afaru, Adamu Uzairu, Sharika Hossain, Mohammad Hamid Ullah, Muhammed Sani Sallau, George Iloegbulam Ndukwe, Muhammad Tukur Ibrahim, Imren Bayil, Abu Tayab Moin

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A drug design strategy based on molecular docking and molecular dynamics simulations applied to development of inhibitor against triple-negative breast cancer by Scutellarein deriv... by Shopnil Akash, Farjana Islam Aovi, Md A K Azad, Ajoy Kumer, Unesco Chakma, Md Rezaul Islam, Nobendu Mukerjee, Md Mominur Rahman, Imren Bayıl, Summya Rashid, Rohit Sharma

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Unveiling potent inhibitors for schistosomiasis through ligand-based drug design, molecular docking, molecular dynamics simulations and pharmacokinetics predictions. by Saudatu Chinade Ja'afaru, Adamu Uzairu, Imren Bayil, Muhammed Sani Sallau, George Iloegbulam Ndukwe, Muhammad Tukur Ibrahim, Abu Tayab Moin, A K M Moniruzzaman Mollah, Nurul Absar

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Novel computational and drug design strategies for inhibition of human papillomavirus-associated cervical cancer and DNA polymerase theta receptor by Apigenin derivatives by Shopnil Akash, Imren Bayıl, Md. Saddam Hossain, Md. Rezaul Islam, Md. Eram Hosen, Amare Bitew Mekonnen, Hiba-Allah Nafidi, Yousef A. Bin Jardan, Mohammed Bourhia, Talha Bin Emran

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Mechanistic inhibition of gastric cancer-associated bacteria Helicobacter pylori by selected phytocompounds: A new cutting-edge computational approach by Shopnil Akash, Imren Bayıl, Sajjat Mahmood, Nobendu Mukerjee, Tamanna Akter Mili, Kuldeep Dhama, Md Anisur Rahman, Swastika Maitra, Mohamed Mohany, Salim S. Al-Rejaie, Nemat Ali, Prabhakar Semwal, Rohit Sharma

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Immunoinformatic strategy for developing multi-epitope subunit vaccine against Helicobacter pylori. by Md Nahian, Md Rasel Khan, Fabiha Rahman, Hossain Mohammed Reza, Imren Bayil, Tanjum Ahmed Nodee, Tabassum Basher, Mostafizur Rahaman Sany, Rabeya Najnin Munmun, S M Ariful Habib, Lincon Mazumder, Mrityunjoy Acharjee

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In silico evaluation of anti-colorectal cancer inhibitors by Resveratrol derivatives targeting Armadillo repeats domain of APC: molecular docking and molecular dynamics simulation by Shopnil Akash, Md. Rezaul Islam, Abdul Ali Bhuiyan, Mirza Nafeul Islam, Imren Bayıl, Rasha Mohammed Saleem, Ghadeer M. Albadrani, Muath Q. Al-Ghadi, Mohamed M. Abdel-Daim, Mohamed M. Abdel-Daim

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Target specific inhibition of West Nile virus envelope glycoprotein and methyltransferase using phytocompounds: an in silico strategy leveraging molecular docking and dynamics simu... by Shopnil Akash, Imren Bayıl, Md. Anisur Rahman, Nobendu Mukerjee, Nobendu Mukerjee, Swastika Maitra, Md. Rezaul Islam, Sanchaita Rajkhowa, Arabinda Ghosh, Sami A. Al-Hussain, Magdi E. A. Zaki, Vikash Jaiswal, Sanjit Sah, Sanjit Sah, Joshuan J. Barboza, Ranjit Sah, Ranjit Sah, Ranjit Sah

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