Binding to and inhibition of insulin-regulated aminopeptidase by macrocyclic disulfides enhances spine density S Diwakarla, E Nylander, A Grönbladh, SR Vanga, YS Khan, ... Molecular pharmacology 89 (4), 413-424, 2016 | 49 | 2016 |
Aryl sulfonamide inhibitors of insulin-regulated aminopeptidase enhance spine density in primary hippocampal neuron cultures S Diwakarla, E Nylander, A Gronbladh, SR Vanga, Y Shamsudin, ... ACS chemical neuroscience 7 (10), 1383-1392, 2016 | 37 | 2016 |
Molecular mechanisms in the selectivity of nonsteroidal anti-inflammatory drugs Y Shamsudin, H Gutiérrez-de-Terán, J Åqvist Biochemistry 57 (7), 1236-1248, 2018 | 30 | 2018 |
Toward an optimal docking and free energy calculation scheme in ligand design with application to COX-1 inhibitors Y Shamsudin, H Gutiérrez-de-Terán, L Boukharta, J Åqvist Journal of chemical information and modeling 54 (5), 1488-1499, 2014 | 28 | 2014 |
Origin of the enigmatic stepwise tight-binding inhibition of cyclooxygenase-1 Y Shamsudin, M Kazemi, H Gutiérrez-de-Terán, J Åqvist Biochemistry 54 (49), 7283-7291, 2015 | 20 | 2015 |
Protein electric fields enable faster and longer-lasting covalent inhibition of β-lactamases Z Ji, J Kozuch, II Mathews, CS Diercks, Y Shamsudin, MA Schulz, ... Journal of the American Chemical Society 144 (45), 20947-20954, 2022 | 19 | 2022 |
Probing the time dependency of cyclooxygenase-1 inhibitors by computer simulations Y Shamsudin, H Gutiérrez-de-Terán, J Åqvist Biochemistry 56 (13), 1911-1920, 2017 | 8 | 2017 |
Simulation-guided engineering of split GFPs with efficient β-strand photodissociation Y Shamsudin, AR Walker, CM Jones, TJ Martínez, SG Boxer Nature Communications 14 (1), 7401, 2023 | 1 | 2023 |
Non-Steroidal Anti-Inflammatory Drugs in Cyclooxygenases 1 and 2: Binding modes and mechanisms from computational methods and free energy calculations Y Shamsudin Khan Acta Universitatis Upsaliensis, 2017 | | 2017 |
Computational methods for understanding structure-activity relationships in NSAIDs Y Khan ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016 | | 2016 |
Computational methods for calculating binding free energies of ligands in COX-1 Y Shamsudin Khan Uppsala universitet, 2014 | | 2014 |
Aspirin or Ibuprofen? Predicting binding affinities of a diverse set of ligands to COX-1 Y Khan ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 243, 2012 | | 2012 |