Eugene Shrimpton-Phoenix

MHChron: diversity-balanced dataset design for robust peptide-MHC binding prediction across MHC class I and II

MHChron improves pMHC binding prediction by creating a diverse dataset and testing models under strict generalization conditions, achieving strong performance despite smaller training data.

drFrankenstein: An Automated Pipeline for the Parameterisation of Non-Canonical Amino Acids

drFrankenstein automates the generation of AMBER force field parameters for non-canonical amino acids, improving the efficiency and accuracy of molecular dynamics simulations.

Triplet Quenching by Active Site Cysteine Residues Improves Photostability in Fatty Acid Photodecarboxylase

This study shows that adding cysteine residues to FAP improves its photostability by quenching harmful triplet states of the FAD cofactor.

drMD: Molecular Dynamics for Experimentalists

drMD is an automated pipeline for running molecular dynamics simulations, designed to reduce the expertise required and improve accessibility for non-experts.