Zobrazeno 1 - 10
of 172
pro vyhledávání: '"Peter G Bolhuis"'
Publikováno v:
PLoS Computational Biology, Vol 11, Iss 10, p e1004444 (2015)
How chaperones interact with protein chains to assist in their folding is a central open question in biology. Obtaining atomistic insight is challenging in particular, given the transient nature of the chaperone-substrate complexes and the large syst
Externí odkaz:
https://doaj.org/article/e7882fff118f41cbb4f7b65ebba22cf1
Publikováno v:
PLoS ONE, Vol 8, Iss 4, p e59683 (2013)
Trigger factor (TF) is a chaperone, found in bacterial cells and chloroplasts, that interacts with nascent polypeptide chains to suppress aggregation. While its crystal structure has been resolved, the solution structure and dynamics are largely unkn
Externí odkaz:
https://doaj.org/article/499977ccd47d4c2e8e612025f5d20fe4
Publikováno v:
PLoS Computational Biology, Vol 9, Iss 2, p e1002913 (2013)
The HAMP domain is a linker region in prokaryotic sensor proteins and relays input signals to the transmitter domain and vice versa. Functional as a dimer, the structure of HAMP shows a parallel coiled-coil motif comprising four helices. To date, it
Externí odkaz:
https://doaj.org/article/c7775861b960444f8a7728ef51be3f03
Autor:
Hendrik Jung, Roberto Covino, A. Arjun, Christian Leitold, Christoph Dellago, Peter G. Bolhuis, Gerhard Hummer
Publikováno v:
Nature Computational Science
Molecular self-organization driven by concerted many-body interactions produces the ordered structures that define both inanimate and living matter. Here we present an autonomous path sampling algorithm that integrates deep learning and transition pa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0103315b34cd1ce9b82caa8370ff909e
https://doi.org/10.1038/s43588-023-00428-z
https://doi.org/10.1038/s43588-023-00428-z
Publikováno v:
Journal of Physical Chemistry B, 126(48), 10034-10044. American Chemical Society
Flexibility is essential for many proteins to function, but can be difficult to characterize. Experiments lack resolution in space and time, while the time scales involved are prohibitively long for straightforward molecular dynamics simulations. In
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cfa743b12d8ffb5fdf15b7f88a6a1c7d
https://pubmed.ncbi.nlm.nih.gov/36427204
https://pubmed.ncbi.nlm.nih.gov/36427204
Autor:
A. Arjun, Peter G. Bolhuis
Publikováno v:
The Journal of Physical Chemistry. B
Journal of Physical Chemistry B, 125(1), 338-349. American Chemical Society
Journal of Physical Chemistry B, 125(1), 338-349. American Chemical Society
Carbon dioxide hydrate is a solid built from hydrogen-bond stabilized water cages that encapsulate individual CO2 molecules. As potential candidates for reducing greenhouse gases, hydrates have attracted attention from both the industry and scientifi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7c8332badb0e01fc1ff4d6c828790aa1
https://dare.uva.nl/personal/pure/en/publications/molecular-understanding-of-homogeneous-nucleation-of-co2-hydrates-using-transition-path-sampling(3ac12735-82e5-4061-807e-79ebedd77a3a).html
https://dare.uva.nl/personal/pure/en/publications/molecular-understanding-of-homogeneous-nucleation-of-co2-hydrates-using-transition-path-sampling(3ac12735-82e5-4061-807e-79ebedd77a3a).html
Autor:
Arjun Arjun, Peter G. Bolhuis
Publikováno v:
The Journal of Physical Chemistry. B
Journal of Physical Chemistry B, 124(37), 8099-8109. American Chemical Society
Journal of Physical Chemistry B, 124(37), 8099-8109. American Chemical Society
The crystallization of methane hydrates via homogeneous nucleation under natural, moderate conditions is of both industrial and scientific relevance, yet still poorly understood. Predicting the nucleation rates at such conditions is notoriously diffi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::697241997d823ddf0ed241f9e2b1df86
https://doi.org/10.1021/acs.jpcb.0c04582
https://doi.org/10.1021/acs.jpcb.0c04582
Autor:
A. Arjun, Peter G. Bolhuis
Publikováno v:
The Journal of Chemical Physics. 158:044504
Methane hydrates are important from a scientific and industrial perspective, and form by nucleation and growth from a supersaturated aqueous solution of methane. Molecular simulation is able to shed light on the process of homogeneous nucleation of h
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c46c7fdfd57b596d5de32dce4488b7d4
https://doi.org/10.1063/5.0124852
https://doi.org/10.1063/5.0124852
Autor:
Simon Stuij, Peter Schall, Stefano Sacanna, Thomas E. Kodger, Zhe Gong, Peter G. Bolhuis, Hannah J. Jonas
Publikováno v:
Soft Matter, 17(36), 8291-8299
Soft Matter 17 (2021) 36
Soft Matter, 17(36), 8291-8299. Royal Society of Chemistry
Soft Matter 17 (2021) 36
Soft Matter, 17(36), 8291-8299. Royal Society of Chemistry
The viscoelastic properties of filaments and biopolymers play a crucial role in soft and biological materials from biopolymer networks to novel synthetic metamaterials. Colloidal particles with specific valency allow mimicking polymers and more compl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f0fd521281e060b12e73bb5e238f3324
https://pubmed.ncbi.nlm.nih.gov/34550152
https://pubmed.ncbi.nlm.nih.gov/34550152
Publikováno v:
Journal of Chemical Physics, 155(3):034902. American Institute of Physics
Synthetic colloidal patchy particles immersed in a binary liquid mixture can self-assemble via critical Casimir interactions into various superstructures, such as chains and networks. Up to now, there are no quantitatively accurate potential models t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ce63c919f0d1ca69f48236149b2f0636
https://dare.uva.nl/personal/pure/en/publications/a-temperaturedependent-critical-casimir-patchy-particle-model-benchmarked-onto-experiment(d4beac97-90f3-4c13-9c9f-569f88c3b9d0).html
https://dare.uva.nl/personal/pure/en/publications/a-temperaturedependent-critical-casimir-patchy-particle-model-benchmarked-onto-experiment(d4beac97-90f3-4c13-9c9f-569f88c3b9d0).html
