On the energetics of ATP hydrolysis in solution
Kamerlin, Shina C L LU
and Warshel, Arieh
(2009)
In The Journal of Physical Chemistry Part B
113(47).
p.8-15692
- Abstract
ATP hydrolysis is the driving force of many life processes, yet the exact nature of and contributions to the energetics of this reaction are far from being clear. In particular, it is unclear how much of the driving force of this reaction is due to the separation of the already dissociated ADP + P(i) moieties rather than to the chemical event. This fundamental issue is explored here by ab initio calculations that use different solvation models, and it is found that, while the calculations are sensitive to the theoretical approach used, it is quite likely that the dissociation of the charged fragments makes a significant contribution to the energetics of ATP hydrolysis.
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/2fb5ff2f-017a-48d5-8bdf-7a0881dc2882
- author
- Kamerlin, Shina C L
LU
and Warshel, Arieh
- publishing date
- 2009-11-26
- type
- Contribution to journal
- publication status
- published
- keywords
- Adenosine Triphosphate/chemistry, Energy Metabolism, Hydrolysis, Water/chemistry
- in
- The Journal of Physical Chemistry Part B
- volume
- 113
- issue
- 47
- pages
- 7 pages
- publisher
- The American Chemical Society (ACS)
- external identifiers
-
- pmid:19888735
- scopus:71549171901
- ISSN
- 1520-5207
- DOI
- 10.1021/jp907223t
- language
- English
- LU publication?
- no
- id
- 2fb5ff2f-017a-48d5-8bdf-7a0881dc2882
- date added to LUP
- 2025-01-11 22:12:57
- date last changed
- 2025-04-06 11:27:55
@article{2fb5ff2f-017a-48d5-8bdf-7a0881dc2882,
abstract = {{<p>ATP hydrolysis is the driving force of many life processes, yet the exact nature of and contributions to the energetics of this reaction are far from being clear. In particular, it is unclear how much of the driving force of this reaction is due to the separation of the already dissociated ADP + P(i) moieties rather than to the chemical event. This fundamental issue is explored here by ab initio calculations that use different solvation models, and it is found that, while the calculations are sensitive to the theoretical approach used, it is quite likely that the dissociation of the charged fragments makes a significant contribution to the energetics of ATP hydrolysis.</p>}},
author = {{Kamerlin, Shina C L and Warshel, Arieh}},
issn = {{1520-5207}},
keywords = {{Adenosine Triphosphate/chemistry; Energy Metabolism; Hydrolysis; Water/chemistry}},
language = {{eng}},
month = {{11}},
number = {{47}},
pages = {{8--15692}},
publisher = {{The American Chemical Society (ACS)}},
series = {{The Journal of Physical Chemistry Part B}},
title = {{On the energetics of ATP hydrolysis in solution}},
url = {{http://dx.doi.org/10.1021/jp907223t}},
doi = {{10.1021/jp907223t}},
volume = {{113}},
year = {{2009}},
}