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)

The future of molecular dynamics simulations in drug discovery. - David W. Borhani; David E. Shaw (J. Comput. Aided Mol. Des., 2012)