Stochastic Pairwise Alignments and Scoring Methods for Comparative Protein Structure Modeling. - Adam C. Marko; Kate A. Stafford; Troy Wymore (J. Chem. Inf. Model., 2007)

A scalable parallel framework for analyzing terascale molecular dynamics simulation trajectories. - Tiankai Tu; Charles A. Rendleman; David W. Borhani; Ron O. Dror; Justin Gullingsrud; Morten Ø. Jensen; John L. Klepeis; Paul Maragakis; Patrick J. Miller; Kate A. Stafford; David E. Shaw (SC, 2008)

Thermal Adaptation of Conformational Dynamics in Ribonuclease H. - Kate A. Stafford; Paul Robustelli; Arthur G. Palmer III (PLoS Comput. Biol., 2013)

AtomNet PoseRanker: Enriching Ligand Pose Quality for Dynamic Proteins in Virtual High-Throughput Screens. - Kate A. Stafford; Brandon M. Anderson; Jon Sorenson; Henry van den Bedem (J. Chem. Inf. Model., 2022)