Hydration Thermodynamics of Biomolecules.III. : Transfer Free Energies of Ionic Amino Acid Derivatives

スポンサーリンク

概要

• 論文の詳細を見る

• Using atomic transfer pararneters of the constitueuat atoms of amino acids previ-ously determined from an analysis of transfer free energy data for sixteen unchargedamino-acid derivatives and recently reported values of partial charges for relatedmolecules, octanol / water transfer free energies have been estimated for derivatives offour ionic amino acids of Asp, Glu, Lys and Arg. For any of them, the calculatedtransfer free energy was found to be several kcal / mol lower than the experimentalone determined by Fauchere and Pliska. Possible sources of this discrepancy are fullyexamined. It is concluded that, at neutral pH, the acidic and basic arnino-acidderivatives dissolve in the octanol phase mostly (Asp, Glu, and Arg) or partially (Lys)in their charged form, as described by Yunger and Cramer (Mol. Pharmacol. 20(1981) 602).

• 社団法人日本物理学会の論文
• 1991-08-15

著者

• Soda Kunitsugu

  To Whom Reprint Requests Should Be Addressed.

• HIRASHIMA Hitoshi

  Department of Science and Mathematics,Nagaoka University of Technology

• Hirashima Hitoshi

  Department Of Bioenigineering Nagaoka University:kikkoman Corporation

• Hirashima Hitoshi

  Department Of Science And Mathematics Nagaoka University Of Technology

関連論文

• Hydration Thermodynamics of Biomolecules.III. : Transfer Free Energies of Ionic Amino Acid Derivatives
• Hydration Thermodynamics of Biomolecules : I. Transfer Free Energy of Solutes with Variable Conformations
• Hydration Thermodynamics of Biomolecules. : IV. Hydration Free Energy of Amino Acid Related Molecules

スポンサーリンク