Statistical mechanics of noncovalent bonds in polyamino acids. I. Hydrogen bonding of solutes in water, and the binding of water to polypeptides | Zendy

Poland Douglas C. | Zendy; Scheraga Harold A. | Zendy

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Statistical mechanics of noncovalent bonds in polyamino acids. I. Hydrogen bonding of solutes in water, and the binding of water to polypeptides

Author(s) -

Poland Douglas C.,

Scheraga Harold A.

Publication year - 1965

Publication title -

biopolymers

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.556

H-Index - 125

eISSN - 1097-0282

pISSN - 0006-3525

DOI - 10.1002/bip.360030305

Subject(s) - hydrogen bond , chemistry , random coil , non covalent interactions , statistical mechanics , thermodynamics , binding energy , partition function (quantum field theory) , hydrophobic effect , hydrogen , computational chemistry , crystallography , molecule , organic chemistry , atomic physics , circular dichroism , physics , quantum mechanics

By using the Nemethy‐Scheraga theory of water structure, a calculation was made of the energy changes for the rupture of a DH…A solute–solute hydrogen bond in water. A partition function was also obtained for the binding of water and other solutes to the DH and A groups in the special case where these are the NH and CO groups of a random coil polypeptide chain. In subsequent papers of this series, these calculated quantities will be used in a statistical mechanical treatment of the helix–coil transition for polypeptides in water.

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