In reality, nothing but atoms and the void.
I am a molecular modeller and research software engineer. My research revolves around the use of computational techniques to understand proteins and how their composition and structure impact treatment efficacy. I have particular interest in how sequence changes produce drug resistance in HIV and cancer, and alter the solution structure of antibodies. A key part of my work is the development of tools to automate and analyse molecular dynamics simulations deployed on high performance computing and cloud resources.
Verified Exascale Computing for Multiscale Applications.
European HPC Centre of Excellence focussed on the use and development of computational methods for biomedical applications..
The contact point for European researchers and innovators to discover, access, use and reuse a broad spectrum of resources for advanced data-driven research.
Combining molecular simulation and machine learning to guide precision cancer therapy.
Verified Exascale Computing for Multiscale Applications.