Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Rakesh C. Puthenkalathil"'
Autor:
Rakesh C. Puthenkalathil, Bernd Ensing
Publikováno v:
Journal of Physical Chemistry B, 126(2), 403-411. American Chemical Society
The Journal of Physical Chemistry. B
The Journal of Physical Chemistry. B
Di-iron hydrogenases are a class of enzymes that are capable of reducing protons to form molecular hydrogen with high efficiency. In addition to the catalytic site, these enzymes have evolved dedicated pathways to transport protons and electrons to t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::892f4cd5fa1b3350b5dd92bfc5f8f1ae
https://dare.uva.nl/personal/pure/en/publications/fast-proton-transport-in-fefe-hydrogenase-via-a-flexible-channel-and-a-proton-hole-mechanism(53ce7ee4-f5a7-47fa-8a84-0f6014bcac58).html
https://dare.uva.nl/personal/pure/en/publications/fast-proton-transport-in-fefe-hydrogenase-via-a-flexible-channel-and-a-proton-hole-mechanism(53ce7ee4-f5a7-47fa-8a84-0f6014bcac58).html
Autor:
Bernd Ensing, Rakesh C. Puthenkalathil
Di-iron hydrogenases are a class of enzymes that are capable of reducing protons to form molecular hydrogen with high efficiency. In addition to the catalytic site, these enzymes have evolved dedicated pathways to transport protons and electrons to t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a1a5750f1eccdb1e06e2f8512c64b150
https://doi.org/10.33774/chemrxiv-2021-f2r25
https://doi.org/10.33774/chemrxiv-2021-f2r25
Autor:
Bernd Ensing, Rakesh C. Puthenkalathil
[FeFe] hydrogenase enzymes can reversibly catalyze the conversion of protons into molecular hydrogen. The active site of the [FeFe] hydrogenase enzyme is buried inside the protein. The transport of electrons and protons to the active site of the prot
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0a0d2d832ff9e3e8fa5374328c4cefd8
https://doi.org/10.33774/chemrxiv-2021-2vqgs
https://doi.org/10.33774/chemrxiv-2021-2vqgs
Publikováno v:
Physical Chemistry Chemical Physics, 22(19), 10447-10454. Royal Society of Chemistry
The Fe2(bdt)(CO)6 [bdt = benzenedithiolato] complex, a synthetic mimic of the [FeFe] hydrogenase enzyme can electrochemically convert protons into molecular hydrogen. Molecular understanding of the cascade of reaction steps is important for the desig
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e2ff42e45938aaf71dc30b7ea62b0b46
https://dare.uva.nl/personal/pure/en/publications/unraveling-the-mechanism-of-biomimetic-hydrogen-fuel-production--a-first-principles-molecular-dynamics-study(5fd5d5c5-669c-4d8c-ad14-3e3d820aee95).html
https://dare.uva.nl/personal/pure/en/publications/unraveling-the-mechanism-of-biomimetic-hydrogen-fuel-production--a-first-principles-molecular-dynamics-study(5fd5d5c5-669c-4d8c-ad14-3e3d820aee95).html
Publikováno v:
Journal of Chemical Physics, 149(7):072320. American Institute of Physics
Study of complex activated molecular transitions by molecular dynamics (MD) simulation can be a daunting task, especially when little knowledge is available on the reaction coordinate describing the mechanism of the process. Here, we assess the path-
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b24163819a7dede56f2c6b9233c25241
https://pubmed.ncbi.nlm.nih.gov/30134692
https://pubmed.ncbi.nlm.nih.gov/30134692
