HRMC: Hybrid Reverse Monte Carlo method with silicon and carbon potentials. - George Opletal; Timothy C. Petersen; Brendan O'Malley; I. K. Snook; D. G. McCulloch; Irene Yarovsky (Comput. Phys. Commun., 2008)

Molecular modelling of peptide folding, misfolding and aggregation phenomena. - Nevena Todorova; Irene Yarovsky (ICCS, 2010)

HRMC_1.1: Hybrid Reverse Monte Carlo method with silicon and carbon potentials. - George Opletal; Timothy C. Petersen; Brendan O'Malley; I. K. Snook; D. G. McCulloch; Irene Yarovsky (Comput. Phys. Commun., 2011)

Dimensionality of Carbon Nanomaterials Determines the Binding and Dynamics of Amyloidogenic Peptides: Multiscale Theoretical Simulations. - Nevena Todorova; Adam J. Makarucha; Nicholas D. M. Hine; Arash A. Mostofi; Irene Yarovsky (PLoS Comput. Biol., 2013)

Membrane Permeating Macrocycles: Design Guidelines from Machine Learning. - Billy J. Williams-Noonan; Melissa N. Speer; Tu C. Le; Maiada M. Sadek; Philip E. Thompson; Raymond S. Norton; Elizabeth Yuriev; Nicholas Barlow; David K. Chalmers; Irene Yarovsky (J. Chem. Inf. Model., 2022)