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Crystal structure and mechanistic basis of a functional homolog of the antigen transporter TAP.
Nöll A, Thomas C, Herbring V, Zollmann T, Barth K, Mehdipour AR, Tomasiak TM, Brüchert S, Joseph B, Abele R, Oliéric V, Wang M, Diederichs K, Hummer G, Stroud RM, Pos KM, Tampé R. Nöll A, et al. Among authors: hummer g. Proc Natl Acad Sci U S A. 2017 Jan 24;114(4):E438-E447. doi: 10.1073/pnas.1620009114. Epub 2017 Jan 9. Proc Natl Acad Sci U S A. 2017. PMID: 28069938 Free PMC article.
Bidirectional Control of Autophagy by BECN1 BARA Domain Dynamics.
Chang C, Young LN, Morris KL, von Bülow S, Schöneberg J, Yamamoto-Imoto H, Oe Y, Yamamoto K, Nakamura S, Stjepanovic G, Hummer G, Yoshimori T, Hurley JH. Chang C, et al. Among authors: hummer g. Mol Cell. 2019 Jan 17;73(2):339-353.e6. doi: 10.1016/j.molcel.2018.10.035. Epub 2018 Dec 20. Mol Cell. 2019. PMID: 30581147 Free PMC article.
Conformation space of a heterodimeric ABC exporter under turnover conditions.
Hofmann S, Januliene D, Mehdipour AR, Thomas C, Stefan E, Brüchert S, Kuhn BT, Geertsma ER, Hummer G, Tampé R, Moeller A. Hofmann S, et al. Among authors: hummer g. Nature. 2019 Jul;571(7766):580-583. doi: 10.1038/s41586-019-1391-0. Epub 2019 Jul 17. Nature. 2019. PMID: 31316210 Free PMC article.
Optimal estimates of self-diffusion coefficients from molecular dynamics simulations.
Bullerjahn JT, von Bülow S, Hummer G. Bullerjahn JT, et al. Among authors: hummer g. J Chem Phys. 2020 Jul 14;153(2):024116. doi: 10.1063/5.0008312. J Chem Phys. 2020. PMID: 32668929
As an illustration, we apply the formalism to molecular dynamics simulation data of pure TIP4P-D water and a single ubiquitin protein. In another paper [S. von Bulow, J. T. Bullerjahn, and G. Hummer, J. Chem. Phys. 153, 021101 (2020)], we demonstrate its ability to …
As an illustration, we apply the formalism to molecular dynamics simulation data of pure TIP4P-D water and a single ubiquitin protein. In an …
Systematic errors in diffusion coefficients from long-time molecular dynamics simulations at constant pressure.
von Bülow S, Bullerjahn JT, Hummer G. von Bülow S, et al. Among authors: hummer g. J Chem Phys. 2020 Jul 14;153(2):021101. doi: 10.1063/5.0008316. J Chem Phys. 2020. PMID: 32668935
Here and in another paper [J. T. Bullerjahn, S. von Bulow, and G. Hummer, J. Chem. Phys. 153, 024116 (2020)], we apply the new unwrapping scheme to extensive molecular dynamics and Brownian dynamics simulation data. ...
Here and in another paper [J. T. Bullerjahn, S. von Bulow, and G. Hummer, J. Chem. Phys. 153, 024116 (2020)], we apply the new …
325 results