*"Structural Basis for the Activity of pp60 c src Protein Tyrosine Kinase Inhibitors" Biopolymers, 59 167-179 (2001); N.V. Prabhu, S.A. Siddiqui, J.S. McMurray and B. M. Pettitt.
*"A Study of DNA tethered to a Surface by an All-atom Molecular Dynamics Simulation" Theo. Chem. Accounts 106 233-235 (2001); Ka-Yiu Wong and B.M. Pettitt.
*"Numerical Simulation of the Sedimentation of a Tripole-like body in an incompressible Viscous Fluid" Applied Math. Lett. 15 743-747 (2002); L. H. Juarez, R. Glowinski, B. M. Pettitt.
*"Simulations of the Bis-Penicillamine Enkephalin in Sodium Chloride Solution: A Parameter Study" Biopolymers 60 134-152 (2001); Gail Marlow and B. M. Pettitt.
*"Fine tuning function: Correlation of hinge domain interactions with functional dis- tinctions between LacI and PurR " Protein Science 11 778-794 (2002); Liskin Swint- Kruse, C. Larson, B. M. Pettitt and K.S. Matthews.
*"Computationally useful bridge diagram series II. Diagrams in h-bonds," J. Chem. Phys. 116 9404-9413 (2002); John Perkyns, Kippi Dyer and B. M. Pettitt.
*"Computationally useful bridge diagram series III. Lennard-Jones mixtures," J. Chem. Phys. 116 9413-9422 (2002); Kippi Dyer, John Perkyns, and B. M. Pettitt.
*"Solvation and Hydration of Proteins and Nucleic acids: a Theoretical View of Simu- lation and Experiment" Accounts of Chemical Res. 35 376- 384 (2002); V. Makarov, B.M. Pettitt and M. Feig.
*"Coulomb Blockage of Hybridization in Two-Dimensional DNA Arrays" Phys. Rev. E 66, 41905 (2002); A. Vainrub and B.M. Pettitt.