Current status and future challenges in T-cell receptor/peptide/MHC molecular dynamics simulations. - Bernhard Knapp; Samuel Demharter; Reyhaneh Esmaielbeiki; Charlotte M. Deane (Briefings Bioinform., 2015)

Exploring peptide/MHC detachment processes using hierarchical natural move Monte Carlo. - Bernhard Knapp; Samuel Demharter; Charlotte M. Deane; Peter Minary (Bioinform., 2016)

Ten simple rules for surviving an interdisciplinary PhD. - Samuel Demharter; Nicholas Pearce; Kylie Beattie; Isabel Frost; Jinwoo Leem; Alistair Martin; Robert Oppenheimer; Cristian Regep; Tammo Rukat; Alexander Skates; Nicola Trendel; David J. Gavaghan; et al. (PLoS Comput. Biol., 2017)

In silico structural modeling of multiple epigenetic marks on DNA. - Konrad Krawczyk; Samuel Demharter; Bernhard Knapp; Charlotte M. Deane; Peter Minary (Bioinform., 2018)

HLA-DM Stabilizes the Empty MHCII Binding Groove: A Model Using Customized Natural Move Monte Carlo. - Samuel Demharter; Bernhard Knapp; Charlotte M. Deane; Peter Minary (J. Chem. Inf. Model., 2019)

Identifying interactions in omics data for clinical biomarker discovery using symbolic regression. - Niels Johan Christensen; Samuel Demharter; Meera Vieira Machado; Lykke Pedersen; Marco Salvatore; Valdemar Stentoft-Hansen; Miquel Triana Iglesias (Bioinform., 2022)