Daniel James Evans

Photo of me

My PhD research has centered around a key question: Given a protein structure, how can we computationally find ways of inhibiting the protein? Answering this question requires software development, protein simulation, and data analysis.

Research Projects

Screenshot of TACTICS output

Binding site identification: I developed the TACTICS software to find binding sites within molecular dynamics simulations. TACTICS outperforms popular alternatives in speed and accuracy.

Screenshot of gag protein model

HIV gag self-assembly: I used a reaction-diffusion model to assess conditions required for HIV gag lattice assembly. The results suggest that HIV reproduction would be inhibited when Gag self-assembly conditions are shifted outside of a narrow range.

Screenshot of EVADE output

Allosteric signal transmission: I developed the EVADE software to quantify dihedral correlations. I used EVADE to propose an allosteric mechanism in the SARS-CoV-2 main protease. I also used EVADE to demonstrate common pitfalls in dihedral correlation analysis.

© 2024 Daniel James Evans. All rights reserved.