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Issue DateTitleAuthor(s)
1-Dec-2008The impact of accelerator processors for high-throughput molecular modeling and simulationGiupponi, G; Harvey, MJ; De Fabritiis, G
27-Aug-2015Standards-based curation of a decade-old digital repository dataset of molecular information.Rzepa, HS; Harvey, MJ; Mason, NJ; McLean, A
1-Jan-2014The Houk-List transition states for organocatalytic mechanisms revisitedArmstrong, A; Boto, RA; Dingwall, P; Contreras-Garcia, J; Harvey, MJ, et al
8-Aug-2015Standards-based metadata procedures for retrieving data for display or mining utilizing persistent (data-DOI) identifiersHarvey, MJ; Mason, NJ; McLean, A; Rzepa, HS
17-Apr-2015AceCloud: Molecular Dynamics Simulations in the CloudHarvey, MJ; De Fabritiis, G