Andrew G. Buchanan

Robust prediction of relative binding energies for protein-protein complex mutations using free energy perturbation calculations

The paper benchmarks free energy perturbation calculations for predicting mutation effects on protein-protein binding affinity and introduces an automated method to improve accuracy.

DLAB - Deep learning methods for structure-based virtual screening of antibodies

DLAB uses deep learning to improve antibody-antigen docking and virtual screening by predicting binding and ranking poses for antibody drug candidates.

Data mining patented antibody sequences

The paper analyzes antibody sequences from patents to assess their utility for therapeutic antibody engineering and finds they reflect clinical sequences.