| 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 | 636 | 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 | 213 | 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 | 136 | 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 | 117 | 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 | 106 | 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 | 101 | 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 | 94 | 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 | 88 | 2012 |
| 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 | 67 | 2015 |
| 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 | 66 | 2020 |
| 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 | 58 | 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 | 56 | 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 | 56 | 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 | 54 | 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 | 52 | 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 | 48 | 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 | 44 | 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 | 42 | 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 | 40 | 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 | 38 | 2010 |
