Bernhard Knapp
Bernhard Knapp
University of Oxford
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The sedoheptulose kinase CARKL directs macrophage polarization through control of glucose metabolism
A Haschemi, P Kosma, L Gille, CR Evans, CF Burant, P Starkl, B Knapp, ...
Cell metabolism 15 (6), 813-826, 2012
Avoiding false positive conclusions in molecular simulation: the importance of replicas
B Knapp, L Ospina, CM Deane
Journal of Chemical Theory and Computation 14 (12), 6127-6138, 2018
Progress and challenges in predicting protein interfaces
R Esmaielbeiki, K Krawczyk, B Knapp, JC Nebel, CM Deane
Briefings in bioinformatics 17 (1), 117-131, 2016
Rapid, precise, and reproducible prediction of peptide–MHC binding affinities from molecular dynamics that correlate well with experiment
S Wan, B Knapp, DW Wright, CM Deane, PV Coveney
Journal of chemical theory and computation 11 (7), 3346-3356, 2015
An artificial intelligence-based first-line defence against COVID-19: digitally screening citizens for risks via a chatbot
A Martin, J Nateqi, S Gruarin, N Munsch, I Abdarahmane, M Zobel, ...
Scientific reports 10 (1), 19012, 2020
Is an intuitive convergence definition of molecular dynamics simulations solely based on the root mean square deviation possible?
B Knapp, S Frantal, M Cibena, W Schreiner, P Bauer
Journal of Computational Biology 18 (8), 997-1005, 2011
Exploring metabolic configurations of single cells within complex tissue microenvironments
A Miller, C Nagy, B Knapp, J Laengle, E Ponweiser, M Groeger, P Starkl, ...
Cell metabolism 26 (5), 788-800. e6, 2017
Relaxation Estimation of RMSD in Molecular Dynamics Immuno-Simulations
W Schreiner, R Karch, B Knapp, N Ilieva
Computational and Mathematical Methods in Medicine, 2012
Diagnostic accuracy of web-based COVID-19 symptom checkers: comparison study
N Munsch, A Martin, S Gruarin, J Nateqi, I Abdarahmane, ...
Journal of medical Internet research 22 (10), e21299, 2020
Ten simple rules for a successful cross-disciplinary collaboration
B Knapp, R Bardenet, MO Bernabeu, R Bordas, M Bruna, B Calderhead, ...
PLoS Computational Biology 11 (4), e1004214, 2015
Three Rs Approaches in the Quality Control of Inactivated Rabies Vaccines: The Report and Recommendations of ECVAM Workshop 48,
L Bruckner, K Cussler, M Halder, J Barrat, P Castle, K Duchow, ...
Alternatives to Laboratory Animals 31 (4), 429-454, 2003
Specificities of Human CD4+ T Cell Responses to an Inactivated Flavivirus Vaccine and Infection: Correlation with Structure and Epitope Prediction
J Schwaiger, JH Aberle, K Stiasny, B Knapp, W Schreiner, I Fae, ...
Journal of virology 88 (14), 7828-7842, 2014
Ten simple rules for effective computational research
JM Osborne, MO Bernabeu, M Bruna, B Calderhead, J Cooper, ...
PLoS Computational Biology 10 (3), e1003506, 2014
vmdICE: A plug‐in for rapid evaluation of molecular dynamics simulations using VMD
B Knapp, N Lederer, U Omasits, W Schreiner
Journal of computational chemistry 31 (16), 2868-2873, 2010
Current status and future challenges in T-cell receptor/peptide/MHC molecular dynamics simulations
B Knapp, S Demharter, R Esmaielbeiki, CM Deane
Briefings in bioinformatics 16 (6), 1035-1044, 2015
3-Layer-based analysis of peptide–MHC interaction: In silico prediction, peptide binding affinity and T cell activation in a relevant allergen-specific model
B Knapp, U Omasits, B Bohle, B Maillere, C Ebner, W Schreiner, ...
Molecular immunology 46 (8-9), 1839-1844, 2009
Analysis of key parameters for molecular dynamics of pMHC molecules
U Omasits, B Knapp, M Neumann, O Steinhauser, H Stockinger, R Kobler, ...
Molecular Simulation 34 (8), 781-793, 2008
Examining variable domain orientations in antigen receptors gives insight into TCR-like antibody design
J Dunbar, B Knapp, A Fuchs, J Shi, CM Deane
PLoS computational biology 10 (9), e1003852, 2014
Large scale characterization of the LC13 TCR and HLA-B8 structural landscape in reaction to 172 altered peptide ligands: a molecular dynamics simulation study
B Knapp, J Dunbar, CM Deane
PLoS computational biology 10 (8), e1003748, 2014
A comparative approach linking molecular dynamics of altered peptide ligands and MHC with in vivo immune responses
B Knapp, U Omasits, W Schreiner, MM Epstein
PLoS One 5 (7), e11653, 2010
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