title: On the energetics of ATP hydrolysis in solution.
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.
authors.affiliation: Department of Chemistry (SGM 418), University of Southern California, 3620 McClintock Avenue, Los Angeles, California 90089, USA.
authors.forename: Shina C L
authors.initials: SC
authors.lastname: Kamerlin
authors.forename: Arieh
authors.initials: A
authors.lastname: Warshel
mesh_terms: D000255:Adenosine Triphosphate / Q000737:chemistry* / Q000378:metabolism; D004734:Energy Metabolism; D006868:Hydrolysis; D014867:Water / Q000737:chemistry
chemical_list: D014867:Water; D000255:Adenosine Triphosphate