Tonto: A Fortran Based Object-Oriented System for Quantum Chemistry and Crystallography. - Dylan Jayatilaka; Daniel J. Grimwood (International Conference on Computational Science, 2003)

Wave functions derived from experiment. V. Investigation of electron densities, electrostatic potentials, and electron localization functions for noncentrosymmetric crystals. - Daniel J. Grimwood; Ian Bytheway; Dylan Jayatilaka (J. Comput. Chem., 2003)

Structural Investigation of MscL Gating Using Experimental Data and Coarse Grained MD Simulations. - Evelyne Deplazes; Martti Louhivuori; Dylan Jayatilaka; Siewert J. Marrink; Ben Corry (PLoS Comput. Biol., 2012)

An Entropic Mechanism of Generating Selective Ion Binding in Macromolecules. - Michael Thomas 006; Dylan Jayatilaka; Ben Corry (PLoS Comput. Biol., 2013)

Determining the parent and associated fragment formulae in mass spectrometry via the parent subformula graph. - Sean Li; Björn Bohman; Gavin R. Flematti; Dylan Jayatilaka (J. Cheminformatics, 2023)