The conference ‘Molecular Modelling – 2010: Advances in Biomolecular and Materials Modelling’ (MM2010) was held in Melbourne, Australia from 28 November to 1 December, 2010. The meeting was organized by AMMA, the Association of Molecular Modellers of Australasia, the Asia/Pacific Chapter of the Molecular Graphics and Modelling Society (MGMS), and was held at the Monash Institute of Pharmaceutical Sciences (MIPS). This Research Front comprises a selection of papers, contributed by MM2010 attendees and representing a wide scope of molecular modelling research ‘from bio to nano’.