Zobrazeno 1 - 10
of 6 570
pro vyhledávání: '"Bolhuis A"'
Autor:
Falkner, Sebastian, Coretti, Alessandro, Peters, Baron, Bolhuis, Peter G., Dellago, Christoph
Rare event sampling algorithms are essential for understanding processes that occur infrequently on the molecular scale, yet they are important for the long-time dynamics of complex molecular systems. One of these algorithms, transition path sampling
Externí odkaz:
http://arxiv.org/abs/2408.03054
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-9 (2024)
Abstract Childhood bereavement is an adverse event, yet children demonstrate considerable variability in health outcomes. Bereaved children are at risk of lower lifelong educational attainment, though the contribution of neurocognitive performance is
Externí odkaz:
https://doaj.org/article/13d270135e7f4069aff0491d1a53bfd6
Molecular dynamics is a powerful tool for studying the thermodynamics and kinetics of complex molecular events. However, these simulations can rarely sample the required time scales in practice. Transition path sampling overcomes this limitation by c
Externí odkaz:
http://arxiv.org/abs/2307.11240
Publikováno v:
J. Chem. Phys. 160, 024108 2024
Simulations of condensed matter systems often focus on the dynamics of a few distinguished components but require integrating the dynamics of the full system. A prime example is a molecular dynamics simulation of a (macro)molecule in solution, where
Externí odkaz:
http://arxiv.org/abs/2306.17672
Publikováno v:
mLife, Vol 3, Iss 2, Pp 163-166 (2024)
Externí odkaz:
https://doaj.org/article/7c4928f31e82436ba62c3f87f86f5368
Autor:
Ryan D. Mouery, Kimberly Lukasik, Carolyn Hsu, Thomas Bonacci, Derek L. Bolhuis, Xianxi Wang, C. Allie Mills, E. Drew Toomer, Owen G. Canterbury, Kevin C. Robertson, Timothy B. Branigan, Nicholas G. Brown, Laura E. Herring, Stephanie L. Gupton, Michael J. Emanuele
Publikováno v:
Cell Reports, Vol 43, Iss 8, Pp 114510- (2024)
Summary: Ubiquitination is an essential regulator of cell division. The kinase Polo-like kinase 1 (PLK1) promotes protein degradation at G2/M phase through the E3 ubiquitin ligase Skp1-Cul1-F box (SCF)βTrCP. However, the magnitude to which PLK1 shap
Externí odkaz:
https://doaj.org/article/43e0cb2829ad40e78a39e529e1e2c616
Autor:
Bolhuis, K.1 (AUTHOR), Espinosa Dice, A. L.2 (AUTHOR), Jansen, P. W.1,3 (AUTHOR), Tiemeier, H.1,2,4 (AUTHOR), Denckla, C. A.4 (AUTHOR) cdenckla@hsph.harvard.edu
Publikováno v:
Scientific Reports. 9/11/2024, Vol. 14 Issue 1, p1-9. 9p.
Autor:
Wieringa, Fokko P1,2,3,4 (AUTHOR) fokko.wieringa@imec.nl, Bolhuis, Dian2 (AUTHOR), Søndergaard, Henning3,5 (AUTHOR), Ash, Stephen R6 (AUTHOR), Cummins, Cian7 (AUTHOR), Gerritsen, Karin G F2,8 (AUTHOR), Vollenbroek, Jeroen1,2,9 (AUTHOR), Irmak, Tugrul2,3 (AUTHOR)
Publikováno v:
Clinical Kidney Journal. Sep2024, Vol. 17 Issue 9, p1-14. 14p.
Autor:
Xiuxiu Lu, Monika Chandravanshi, Venkata R. Sabbasani, Snehal Gaikwad, V. Keith Hughitt, Nana Gyabaah-Kessie, Bradley T. Scroggins, Sudipto Das, Wazo Myint, Michelle E. Clapp, Charles D. Schwieters, Marzena A. Dyba, Derek L. Bolhuis, Janusz W. Koscielniak, Thorkell Andresson, Michael J. Emanuele, Nicholas G. Brown, Hiroshi Matsuo, Raj Chari, Deborah E. Citrin, Beverly A. Mock, Rolf E. Swenson, Kylie J. Walters
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-18 (2024)
Abstract Proteasome subunit hRpn13 is partially proteolyzed in certain cancer cell types to generate hRpn13Pru by degradation of its UCHL5/Uch37-binding DEUBAD domain and retention of an intact proteasome- and ubiquitin-binding Pru domain. By using s
Externí odkaz:
https://doaj.org/article/287afc8f95ca4e0dbcecccb50eebdb48
Empirical force fields employed in molecular dynamics simulations of complex systems can be optimised to reproduce experimentally determined structural and thermodynamic properties. In contrast, experimental knowledge about the rates of interconversi
Externí odkaz:
http://arxiv.org/abs/2207.04558