Rafał Madaj

This paper evaluates AlphaFold2's ability to model coiled-coil domains, showing improved prediction of oligomeric states compared to previous methods.

The paper uses AlphaFold2 to generate 5000 models of the HAMP domain, revealing its conformational variability and structural conservation across families.

This paper develops deep learning models to predict and design cofactor specificity in Rossmann-fold proteins, achieving nearly perfect accuracy in benchmark tests.

The paper presents a Python program that screens over a billion compounds from PubChem using machine learning to generate drug leads for Dengue and West Nile viruses, followed by automated In Silico modelling of their interactions with methyltransferase targets.

The paper introduces a programmatic tool that automates drug discovery for Hepatitis C virus using machine learning and molecular dynamics simulations to identify potential drug candidates.