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Rapid simulation of glycoprotein structures by grafting and steric exclusion of glycan conformer libraries.
Tsai YX, Chang NE, Reuter K, Chang HT, Yang TJ, von Bülow S, Sehrawat V, Zerrouki N, Tuffery M, Gecht M, Grothaus IL, Colombi Ciacchi L, Wang YS, Hsu MF, Khoo KH, Hummer G, Hsu SD, Hanus C, Sikora M. Tsai YX, et al. Among authors: von bulow s. Cell. 2024 Feb 29;187(5):1296-1311.e26. doi: 10.1016/j.cell.2024.01.034. Cell. 2024. PMID: 38428397 Free article.
Unwrapping NPT Simulations to Calculate Diffusion Coefficients.
Bullerjahn JT, von Bülow S, Heidari M, Hénin J, Hummer G. Bullerjahn JT, et al. Among authors: von bulow s. J Chem Theory Comput. 2023 Jun 13;19(11):3406-3417. doi: 10.1021/acs.jctc.3c00308. Epub 2023 May 31. J Chem Theory Comput. 2023. PMID: 37257090 Free PMC article.
Structure of a fully assembled tumor-specific T cell receptor ligated by pMHC.
Sušac L, Vuong MT, Thomas C, von Bülow S, O'Brien-Ball C, Santos AM, Fernandes RA, Hummer G, Tampé R, Davis SJ. Sušac L, et al. Among authors: von bulow s. Cell. 2022 Aug 18;185(17):3201-3213.e19. doi: 10.1016/j.cell.2022.07.010. Cell. 2022. PMID: 35985289 Free PMC article.
Structural basis of polyamine transport by human ATP13A2 (PARK9).
Sim SI, von Bülow S, Hummer G, Park E. Sim SI, et al. Among authors: von bulow s. Mol Cell. 2021 Nov 18;81(22):4635-4649.e8. doi: 10.1016/j.molcel.2021.08.017. Epub 2021 Oct 28. Mol Cell. 2021. PMID: 34715013 Free PMC article.
Computational epitope map of SARS-CoV-2 spike protein.
Sikora M, von Bülow S, Blanc FEC, Gecht M, Covino R, Hummer G. Sikora M, et al. Among authors: von bulow s. PLoS Comput Biol. 2021 Apr 1;17(4):e1008790. doi: 10.1371/journal.pcbi.1008790. eCollection 2021 Apr. PLoS Comput Biol. 2021. PMID: 33793546 Free PMC article.
26 results