Douglas R. Houston

This study evaluates T. brucei phosphofructokinase inhibitors using in-silico methods, finding that inhibitor-ATP interactions predict inhibitory activity and that virtual screen compounds outperform existing ones.

DoggifAI translates non-canine antibody sequences into canine ones using a transformer model, generating species-appropriate framework regions and preserving binding specificity.

SCORCH2 improves virtual screening performance and interpretability by using interaction features, showing better accuracy and transferability than its predecessor.