Degrees &


Language certificates

  • Cambridge Certificate of Proficiency in English (CPE, level C2)
  • Cambridge Certificate of Advanced English (CAE, level C2)

Academic degrees

  • PhD (Teknologie Doktor), Uppsala University
  • Licentiate Degree (Teknologie Licentiat), Uppsala University
  • M.Sc Chemical Engineering (Civilingenjörsexamen med inriktning Kemiteknik), Uppsala University

Degree project & theses

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. (Doctoral thesis)
Shamsudin Khan, Y. (2014). Computational methods for calculating binding free energies of ligands in COX-1. (Licentiate thesis)
Khan, Y. S. (2010). A synthetic and computational investigation of molecules with alternating σ/π- conjugation (MSc. thesis)

List of Publications

Structure of cyclooxygenase 1. The binding pockets are seen at the centers of the colored helices.

Cyclooxygenases &

Non-steroidal anti-inflammatory drugs (NSAIDs)

  • Shamsudin Khan, Y., Gutierrez-de-Teran, H., Åqvist, J. (2018). Molecular Mechanisms in the Selectivity of Nonsteroidal Anti-Inflammatory Drugs. Biochemistry, 57(7): 1236-1248
  • Shamsudin Khan, Y., Gutierrez-de-Teran, H., Åqvist, J. (2017). Probing the time-dependency of cyclooxygenase-1 inhibitors by computer simulations. Biochemistry, 56(13): 1911-1920

Insulin-regulated aminopeptidase

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