Blue Matter: Strong Scaling of Molecular Dynamics on Blue Gene/L. - Blake G. Fitch; Aleksandr Rayshubskiy; Maria Eleftheriou; T. J. Christopher Ward; Mark Giampapa; Yuriy Zhestkov; Michael Pitman; Frank Suits; Alan Grossfield; Jed W. Pitera; William C. Swope; Ruhong Zhou; et al. (International Conference on Computational Science (2), 2006)

Lightweight object oriented structure analysis: Tools for building tools to analyze molecular dynamics simulations. - Tod D. Romo; Nicholas Leioatts; Alan Grossfield (J. Comput. Chem., 2014)

Persistent Protein Motions in a Rugged Energy Landscape Revealed by Normal Mode Ensemble Analysis. - Tod D. Romo; Alan Grossfield; Andrea G. Markelz (J. Chem. Inf. Model., 2020)

Essential Considerations for Free Energy Calculations of RNA-Small Molecule Complexes: Lessons from the Theophylline-Binding RNA Aptamer. - Ali Rasouli; Frank C. Pickard; Sreyoshi Sur; Alan Grossfield; Mehtap Isik Bennett (J. Chem. Inf. Model., 2025)