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Journal of Computational Chemistry|June 13, 2014
Gro2mat: a package to efficiently read gromacs output in MATLABHung Dien, Charlotte M Deane, Bernhard KnappJournal of Chemical Information and Modeling|December 4, 2015
T-Cell Receptor Binding Affects the Dynamics of the Peptide/MHC-I ComplexBernhard Knapp, Charlotte M DeanePlos Computational Biology|August 8, 2014
Large scale characterization of the LC13 TCR and HLA-B8 structural landscape in reaction to 172 altered peptide ligands: a molecular dynamics simulation studyBernhard Knapp, James Dunbar, Charlotte M DeaneJournal of Chemical Theory and Computation|October 26, 2018
Avoiding False Positive Conclusions in Molecular Simulation: The Importance of ReplicasBernhard Knapp, Luis Ospina, Charlotte M DeaneBriefings in Bioinformatics|March 1, 2015
Current status and future challenges in T-cell receptor/peptide/MHC molecular dynamics simulationsBernhard Knapp, Samuel Demharter, Reyhaneh Esmaielbeiki, et al.Journal of Chemical Theory and Computation|June 16, 2017
Variable Regions of Antibodies and T-Cell Receptors May Not Be Sufficient in Molecular Simulations Investigating BindingBernhard Knapp, James Dunbar, Marta Alcala, et al.Biophysical Journal|August 26, 2016
Modeling Functional Motions of Biological Systems by Customized Natural MovesSamuel Demharter, Bernhard Knapp, Charlotte M Deane, et al.Bioinformatics (Oxford, England)|September 24, 2015
Exploring peptide/MHC detachment processes using hierarchical natural move Monte CarloBernhard Knapp, Samuel Demharter, Charlotte M Deane, et al.Bioinformatics (Oxford, England)|October 14, 2017
In silico structural modeling of multiple epigenetic marks on DNAKonrad Krawczyk, Samuel Demharter, Bernhard Knapp, et al.Plos Computational Biology|September 19, 2014
Examining variable domain orientations in antigen receptors gives insight into TCR-like antibody designJames Dunbar, Bernhard Knapp, Angelika Fuchs, et al.Pageof 26