Insights from in silico exploration of major curcumin analogs targeting human dipeptidyl peptidase IV by Roney, Miah, Dubey, Amit, Issahaku, Abdul Rashid, Uddin, Md. Nazim, Tufail, Aisha, Wilhelm, Anke, Normaiza, Zamri, Mohd Fadhlizil Fasihi, Mohd Aluwi

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Computer-aided anti-cancer drug discovery of EGFR protein based on virtual screening of drug bank, ADMET, docking, DFT and molecular dynamic simulation studies by Roney, Miah, Dubey, Amit, Muhammad Hassan, Nasir, Tufail, Aisha, Saiful Nizam, Tajuddin, Mohd Fadhlizil Fasihi, Mohd Aluwi, Huq, A. K. M. Moyeenul

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Polypharmacological assessment of amoxicillin and its analogues against the bacterial DNA gyrase B using molecular docking, DFT and molecular dynamics simulation by Miah, Roney, Singh, Gagandeep, Dubey, Amit, Soni, Hemant, Tandon, Smriti, Narasimhaji, Cheemlapati Venkata, Tufail, Aisha, Akm, Moyeenul Huq, Mohd Fadhlizil Fasihi, Mohd Aluwi

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Computational evaluation of quinones of Nigella sativa L. as potential inhibitor of dengue virus NS5 by Roney, Miah, Dubey, Amit, Muhammad Hassan, Nasir, Huq, A. K. M. Moyeenul, Tufail, Aisha, Saiful Nizam, Tajuddin, Normaiza, Zamri, Mohd Fadhlizil Fasihi, Mohd Aluwi

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Phenolic compounds of Theobroma cacao L. show potential against dengue RdRp protease enzyme inhibition by In-silico docking, DFT study, MD simulation and MMGBSA calculation by Moyeenul Huq, A. K. M., Roney, Miah, Dubey, Amit, Muhammad Hassan, Nasir, Tufail, Aisha, Mohd Fadhlizil Fasihi, Mohd Aluwi, Wan Maznah, Wan Ishak, Islam, Md. Rabiul, Saiful Nizam, Tajuddin

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