Formulation of the Hessian Matrix for the Conformational Energy of Protein-Water Systems

スポンサーリンク

概要

• 論文の詳細を見る

• The Hessian matrix necessary f'or analyzing conforrnational dynamics of protein-water systemis formulated. In order to express internal dynarnics of protein in water, two models have recentlybeen presented: the first is called model I where only a protein is allowed to move in a cavitysurrounded by frozen water naolecules, the second is called model II where each water moleculesurrounding the protein is treated as a rigid body, lcut is alloxved to move with respect to theprotein. In this article, a further realistic rnodel (t?nodel III) is introduced, where ezrch watermolecule interacting with the protein is internally vilorating in addition to its external motions.The Hessian for model III is fortnulated, and Hessians for models I and II are given as subsetsof the model III Hessian.

• 社団法人日本物理学会の論文
• 1997-09-15

著者

• YOSHIOKI Shuzo

  Yatsushiro National College of Technology

• Yoshioki S

  Yatsushiro National Coll. Technol. Yatsushiro

関連論文

• Formulation of Static and Dynamic Conformational Energy Analysis of Biopolymer Systems Consisting of Two or More Molecules
• Is There a Singularity in Energy Space Expressed by Eulerian Angles?
• Internal Motions of a Protein and Surrounding Water Molecules
• Motions of Water Molecules Surrounding a Rigid Protein Model
• Formulation of the Hessian Matrix for the Conformational Energy of Protein-Water Systems

スポンサーリンク