Biomembranes Part O: Protons and Water: Structure and by Lester Packer (Eds.)

By Lester Packer (Eds.)

The significantly acclaimed laboratory usual, Methods in Enzymology, is among the so much hugely revered courses within the box of biochemistry. on the grounds that 1955, each one quantity has been eagerly awaited, often consulted, and praised via researchers and reviewers alike. The sequence includes a lot fabric nonetheless appropriate this day - actually an important ebook for researchers in all fields of existence sciences

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Additional resources for Biomembranes Part O: Protons and Water: Structure and Translocation

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Maye, B. Jayaram, G. Ravishanker, and M. Mezei, J. Biomol. Struct. Dyn. 2, 261 (1984). 22 G. Ravishanker, S. W. Harrison, R. Glacken, and D. L. Beveridge, to be published. 23 R. A. Kuhapsky and P. J. Rossky, J. Am. Chem. Soc. 106, 5786 (1984). 24 C. J. Swenson and W. L. Jorgensen, J. Am. Chem. Soc. 107, 569 (1985). 4 / / 20 / / ! s R (A) 7'5 85' 9'~ ,0~ 0 Fto. 5. Calculated center-of-mass solute-solvent g(R) (full line) and the corresponding running coordination number (dashed line) for the aqueous hydration of benzene at 25°.

Proceed to cast the proximity criterion into the language of to analyze the composition of the various orders of total solute atoms on this basis. For a given solvent molecule i in ~4D. L. Beveridge, M. Mezei, P. K. Mehrotra, F. T. Marchese, V. Thirumalai, and G. RaviShanker, Ann. N . Y . Acad. Sci. 367, 108 (1981). 34 WATER, IONS, AND BIOMOLECULES [2] J 1 , , I"'".. )'-" :,...... , \ FIG. 3. Primary solvation regions of the formaldehyde molecule. an N-particle configuration of the system R N, R N = { R t , R2 .

The quantity Ci(X N) thus gives the number of other molecules that fall within the first coordination sphere of particle i in configuration X N. The quantity called "running coordination number" is simply the average coordination number/£ as a function of the cutoff radius R~. The binding energy of particle i in configuration X N is defined as Bi(X N) = E(XI . . . XN) - E(X] . . . Xi-i, Xi+l . . . XN) (8) where E is the configurational energy of the system. Bi(X N) is the negative of the vertical dissociation energy of the ith molecule.

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