Computational Drug Design and Synthesis - Biophysical Chemistry - Computational Organic Chemistry

Available master and/or PhD research projects

• Characterization of the orthosteric binding area of adenosine receptor A1, A3 or A2B with atomistic MD simulations and mutagenesis experiments results (available)
• Computational drug design and synthesis of new antagonists of β-hydrolase inhibitors against type 2 diabetes (available)
• Computational drug design and synthesis of inhibitors of MmpL3 against tuberculosis (available)
• Computational drug design and synthesis of P2X7 antagonists against CNS disorders (available)
• Binding free energy calculations of PSMA inhibitors (available)
• Gold-catalyzed organic reaction mechanisms using DFT calculations (available)

- PhD positions are not currently available. 

Send your enquiry and cv to: ankol[at]pharm.uoa[dot]gr

Project theses

MD simulations and/or binding free energy calculations of adamantane drugs against influenza A M2 protein

MD simulations of bioconjugates binding to PSMA receptor