Publikationer i Yasmin Binti Shamsudins grupp
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Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of β-Lactamases
Ingår i Journal of the American Chemical Society, s. 20947-20954, 2022.
DOI för Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of β-Lactamases
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Molecular mechanisms in the selectivity of nonsteroidal anti-inflammatory drugs
Ingår i Biochemistry, s. 1236-1248, 2018.
DOI för Molecular mechanisms in the selectivity of nonsteroidal anti-inflammatory drugs
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Shamsudin Khan, Yasmin
Non-Steroidal Anti-Inflammatory Drugs in Cyclooxygenases 1 and 2: Binding modes and mechanisms from computational methods and free energy calculations
2017.
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Probing the Time Dependency of Cyclooxygenase-1 Inhibitors by Computer Simulations
Ingår i Biochemistry, s. 1911-1920, 2017.
DOI för Probing the Time Dependency of Cyclooxygenase-1 Inhibitors by Computer Simulations
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Aryl Sulfonamide Inhibitors of Insulin-Regulated Aminopeptidase Enhance Spine Density in Primary Hippocampal Neuron Cultures
Ingår i ACS Chemical Neuroscience, s. 1383-1392, 2016.
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Origin of the Enigmatic Stepwise Tight-Binding Inhibition of Cyclooxygenase-1
Ingår i Biochemistry, s. 7283-7291, 2015.
DOI för Origin of the Enigmatic Stepwise Tight-Binding Inhibition of Cyclooxygenase-1
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Shamsudin Khan, Yasmin
Computational methods for calculating binding free energies of ligands in COX-1
2014.
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Toward an Optimal Docking and Free Energy Calculation Scheme in Ligand Design with Application to COX-1 Inhibitors
Ingår i Journal of Chemical Information and Modeling, s. 1488-1499, 2014.