Accuracy and tractability of a kriging model of intramolecular polarizable multipolar electrostatics and its application to histidine. - Shaun M. Kandathil; Timothy L. Fletcher; Yongna Yuan; Joshua D. Knowles; Paul L. A. Popelier (J. Comput. Chem., 2013)

Using Machine Learning to Explore the Relevance of Local and Global Features During Conformational Search in Rosetta. - Mario Garza-Fabre; Shaun M. Kandathil; Julia Handl; Joshua D. Knowles; Simon C. Lovell (GECCO (Companion), 2015)

Generating, Maintaining, and Exploiting Diversity in a Memetic Algorithm for Protein Structure Prediction. - Mario Garza-Fabre; Shaun M. Kandathil; Julia Handl; Joshua D. Knowles; Simon C. Lovell (Evol. Comput., 2016)

On heuristic bias in fragment-assembly methods for protein structure prediction. - Julia Handl; Mario Garza-Fabre; Shaun M. Kandathil; Simon C. Lovell (GECCO (Companion), 2017)

High precision in protein contact prediction using fully convolutional neural networks and minimal sequence features. - David T. Jones; Shaun M. Kandathil (Bioinform., 2018)