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Shamsudin Khan, Y. (2017). Non-steroidal anti-inflammatory drugs in Cyclooxygenase 1 and 2: Binding modes and mechanisms from computational methods and free energy calculations.
Shamsudin Khan, Y. (2014). Computational methods for calculating binding free energies of ligands in COX-1.
Khan, Y. S. (2010). A synthetic and computational investigation of molecules with alternating σ/π- conjugation.