KNAPP, Bernhard

Faculty of Medicine and Health Sciences
Department of Basic Areas
Teacher photo

Publications of Dr. KNAPP, Bernhard


  • Dominguez , J.; KNAPP, B., 2018, "How peptide/MHC presence affects the dynamics of the LC13 T-cell receptor", Scientific Reports.
  • KNAPP, B.; Ospina, L.; Deane, C., 2018, "Avoiding False Positive Conclusions in Molecular Simulation: The Importance of Replicas", Journal of chemical theory and computation, 14, 6127-6138.
  • KNAPP, B.; Alcalá, M.; Zhang, H.; West, C.; van der Merwe, P.; Deane, C., 2018, "pyHVis3D: visualising molecular simulation deduced H-bond networks in 3D: application to T-cell receptor interactions", Bioinformatics, 34, 1941-1943.
  • Krawczyk, K.; Demharter, S.; KNAPP, B.; Deane, C.; Minary, P., 2018, "In silico structural modeling of multiple epigenetic marks on DNA", Bioinformatics, 34, 41-48.
  • Miller, A.; Nagy, C.; KNAPP, B.; Laengle, J.; Ponweiser, E.; Groeger, M.; Starkl, P.; Bergmann, M.; Wagner, O.; Haschemi, A., 2017, "Exploring Metabolic Configurations of Single Cells within Complex Tissue Microenvironments", Cell metabolism, 26, 788-+.
  • KNAPP, B.; Dunbar, J.; Alcalá, M.; Deane, C., 2017, "Variable Regions of Antibodies and T-Cell Receptors May Not Be Sufficient in Molecular Simulations Investigating Binding", Journal of chemical theory and computation, 13, 3097-3105.
  • KNAPP, B., 2017, "10 simple rules for surviving an interdisciplinary PhD", PLOS computational biology.
  • KNAPP, B., 2016, "Progress and Challenges in Predicting Protein-Protein Interfaces", Briefings in bioinformatics.
  • KNAPP, B., 2016, "Modelling Functional Motions of Biological Systems by Customised Natural Moves", Biophysical journal.
  • KNAPP, B., 2016, "Tertiary element interaction in HIV-1 TAR", Journal of chemical information and modeling.
  • KNAPP, B., 2016, "The contribution of major histocompatibility complex contacts to the affinity and kinetics of T cell receptor binding", Scientific Reports.
  • KNAPP, B., 2016, "Hierarchical natural moves give insight into peptide/MHC detachment processes", Bioinformatics.
  • KNAPP, B., 2016, "T-cell receptor binding effects the dynamics of the peptide/MHC complex", Journal of chemical information and modeling, 25, 46-53.
  • KNAPP, B., 2015, "Current Status and Future Challenges in (TCR)pMHC Molecular Dynamics Simulations", Briefings in bioinformatics.
  • KNAPP, B., 2015, "Vemurafenib resistance signature by proteome analysis offers new strategies and rational therapeutic concepts", Molecular cancer therapeutics.
  • KNAPP, B., 2015, "Ten simple rules for a successful cross-disciplinary collaboration", PLOS computational biology.
  • KNAPP, B., 2015, "Rapid, Precise and Reproducible Prediction of Peptide-MHC Binding Affinities from Molecular Dynamics that Correlate Well with Experiment", Journal of chemical theory and computation.