Dr Antreas Kalli

Dr Antreas Kalli


I am an Associate Professor at the University of Leeds. Prior to my current position, I was a post-doctoral researcher in the Sansom group at the University of Oxford. During my postdoc, I used computational methodologies to study how membrane proteins fucntion at the molecualr level. I hold a DPhil in Structural Biology from the University of Oxford and a BSc in Physics from the University of Cyprus. My reaserch group uses multi-scale molecular dynamics simulations (i.e. coarse-grained and all-atom) and molecular modelling to simulate how proteins in cell membranes work and how they interact with their environment.


  • Group Leader

Research interests

Membrane proteins account for almost ~25% of all genes and they are a major drug target. My group uses computational approaches such as multi-scale molecular dynamics simulations and molecular modelling to provide molecular/structural and dynamic details about membrane proteins. Multi-scale simulations enable us to represent the system in different resolutions (i.e. coarse-grained and all-atom) depending on the time and length scale of interest. A key aspect of our research is that we study membrane proteins in complex model membranes that resemble the native membranes in which such proteins function. This approach enables us to examine whether the function of membrane proteins is regulated by specific lipid molecules.

Our research spans the following themes: 

  • Ion channels. We use molecular dynamics simulations to study the Piezo1 and other mechanosensitive channels. Piezo1 channel is a critical mechanical sensor in many cells. Our aim is to examine the activation mechanism of Piezo1 and investigate how this is regulated by small molecules and lipids.
  • Biologically important systems that are involved in signalling. We use molecular dynamics simulations to understand the activation and function of the T-cell receptor at the molecular level. We also study how its activation is regulated by its lipid environment and by cytosolic kinases.  
  • Membrane transport proteins. Our studies focus on i) Band 3 and ii) members of the solute carrier (SLC) transporters. With these studies, we aim to understand how these proteins behave in cell membranes and how this helps their ability to transport molecules in and out of cell membranes.  
  • We develop computational approaches that allows us to study proteins and their interactions with lipid molecules faster and more efficiently. 


  • DPhil in Structural Biology, University of Oxford (2012)
  • BSc in Physics, University of Cyprus (2008)

Student education

I teach on a variety of modules for undergraduate and postgraduate courses at the Faculty of Medicine and Health and at the Faculty of Biological Sciences. Additionally, I offer projects for undergraduate and PhD students. These projects focus on molecular dynamics simulations of membrane proteins. If you are interested in such projects, please get in touch to discuss project options. 

Research groups and institutes

  • Leeds Institute of Cardiovascular and Metabolic Medicine
  • Cardiometabolic
  • British Heart Foundation - Cardiovascular research
  • Multidisciplinary Cardiovascular Research Centre

Current postgraduate researchers

<h4>Postgraduate research opportunities</h4> <p>We welcome enquiries from motivated and qualified applicants from all around the world who are interested in PhD study. Our <a href="https://phd.leeds.ac.uk">research opportunities</a> allow you to search for projects and scholarships.</p>
    <li><a href="//phd.leeds.ac.uk/project/1701-filming-photosynthesis:-using-molecular-dynamics-simulations-and-fluorescence-experiments-to-assess-the-dynamics-of-light-harvesting-proteins">Filming photosynthesis: using molecular dynamics simulations and fluorescence experiments to assess the dynamics of light harvesting proteins</a></li> <li><a href="//phd.leeds.ac.uk/project/1349-licamm-computer-simulations-of-force-detection-in-cardiovascular-disease">LICAMM Computer simulations of force detection in cardiovascular disease</a></li> <li><a href="//phd.leeds.ac.uk/project/1353-licamm-differentiated-response-of-endothelial-piezo1-channels-to-shear-stress-and-hydrostatic-pressure-and-its-underlying-molecular-basis">LICAMM Differentiated response of endothelial Piezo1 channels to shear stress and hydrostatic pressure and its underlying molecular basis</a></li> <li><a href="//phd.leeds.ac.uk/project/390-limr-virology:-unique-antiviral-therapy-targeting-zika-and-related-viruses-">LIMR Virology: Unique Antiviral Therapy targeting Zika and Related Viruses </a></li>