About

I'm a computational biologist who started at the lab bench. I build pipelines that predict how small molecules behave across whole proteomes, and I like testing those predictions experimentally.

What I work on

My main interest is polypharmacology, the question of where a drug binds besides its intended target. I combine predicted protein structures, binding-pocket comparison, docking and molecular dynamics to screen entire proteomes for unexpected binding partners. Network analysis and expression data then help decide which candidates are worth testing.

A second line of work is the computational design of synthetic receptors. These are polymers shaped to recognise one specific protein. I build the candidate libraries, dock them and filter them down to the few designs worth simulating in detail.

How I work

I prefer projects where computation guides experiments and the experimental results refine the models. I trained in molecular and cell biology first, so I am at home with protein purification, confocal microscopy, cell culture, CRISPR-based constructs, gel-based proteomics and behavioural assays in a nematode model. I moved to computation during my master's studies and kept both.

I favour transparent methods over clever ones. A ranking that anyone can retrace is worth more to me than a composite score nobody can explain. I wrote a short note about this.

Beyond the research

I have set up and maintained lab workstations and a small computational lab, and I run long simulations on shared HPC clusters. At home I run a homelab, self-host open-source language models and keep this server running by hand.

I enjoy helping other people get started in research. I have supervised undergraduate research projects, led student teams in national innovation competitions and advised school science teams. I also worked as a web developer and work-package assistant on a multinational EU-funded project.

At a glance

Computation: Python, RDKit, molecular docking, molecular dynamics, AlphaFold models, network analysis
Infrastructure: Linux, SLURM, MPI, CUDA, GPU workstations
At the bench: Protein purification, confocal microscopy, cell culture, CRISPR constructs, 2D gel proteomics
Model systems: Human cell lines, nematodes
Currently learning: Web hosting and server security

Elsewhere

I don't publish an email address here. To get in touch, message me through one of these profiles.