The conformational states of Mg·ATP in water

European Biophysics Journal

Volumn 33, Issue 1, 2004, Pages 29-37

  Liao, Jung Chi ^a   Sun, Sean ^a   Chandler, David ^a   Oster, George ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADENOSINE TRIPHOSPHATE DERIVATIVE; ADENOSINE TRIPHOSPHATE MAGNESIUM; OXYGEN DERIVATIVE; PHOSPHATE; WATER;

ANALYTIC METHOD; ARTICLE; CHEMICAL ANALYSIS; CONFORMATION; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; ELASTICITY; ENERGY; EQUILIBRIUM CONSTANT; HYDROGEN BOND; HYDROPHOBICITY; MATHEMATICAL COMPUTING; MOLECULAR BIOLOGY; MOLECULAR DYNAMICS; PHOSPHORUS NUCLEAR MAGNETIC RESONANCE; SAMPLING; STRUCTURE ANALYSIS;

ADENOSINE TRIPHOSPHATE; BIOPHYSICS; ELASTICITY; MODELS, MOLECULAR; MOLECULAR CONFORMATION; SOLUTIONS; THERMODYNAMICS; WATER;

EID: 1042302008     PISSN: 01757571     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00249-003-0339-2     Document Type: Article

References (17)

1. Billing G et al (1996) Introduction to molecular dynamics and chemical kinetics. Wiley, New York, xii, 183 pp
2. Bridger W et al (1983) Cell ATP. Wiley, New York, x, 170 pp
3. Brooks BR et al (1983) Charmm - a program for macromolecular energy, minimization, and dynamics calculations. J Comput Chem 4(2):187-217
4. Chandler D (1987) Introduction to modern statistical mechanics. Oxford University Press, New York, xiii, 274 pp
5. Cohn M et al (1962) Nuclear magnetic resonance spectra of adenosine di- and triphosphate. 2. Effect of complexing with divalent metal ions. J Biol Chem 237(1):176-181
6. Ferrenberg A et al (1989) Optimized Monte-Carlo data analysis. Phys Rev Lett 63(12):1195-1198
7. Frenkel D et al (2002) Understanding molecular simulation: from algorithms to applications. Academic, San Diego, Calif., xxii, 638 pp
8. Hockney RW et al (1988) Computer simulation using particles. Adam Hilger, Bristol, UK, xxi, 540 pp
9. Kuntz G et al (1973) Contrasting structures of magnesium and calcium adenosine-triphosphate complexes as studied by nuclear relaxation. Fed Proc 32(3):546-552
10. MacKerell AD Jr et al (1998) CHARMM: the energy function and its parameterization with an overview of the program. In: Schleyer PvR (ed) Encyclopedia of computational chemistry. Wiley, New York, pp 271-277
11. Mildvan A (1987) Role of magnesium and other divalent cations in ATP-utilizing enzymes. Magnesium 6:28-33
12. Minehardt TJ et al (2002) A classical and ab initio study of the interaction of the myosin triphosphate binding domain with ATP. Biophys J 82(2):660-675
13. +, NADH, and the pyrophosphate groups of nucleotides. J Comput Chem 18(2):221-239
14. Ryckaert JP et al (1977) Numerical-integration of cartesian equations of motion of a system with constraints - molecular-dynamics of N-alkanes. J Comput Phys 23(3):327-341
15. Stryer L (1995) Biochemistry. WH Freeman, New York, xxxiv, 1064 pp
16. Sun S et al (2003) Elastic energy storage in β-sheets with application to F1-ATPase. Eur J Biophys (in press)
17. Wang H et al (1998) Energy transduction in the F1 motor of ATP synthase. Nature (London) 396(6708):279-282