Contribution of Solvation Energy in Protein-Peptide Recognition Systems

• 来源期刊: 中国化学（英文版）
• 学科: 化学
• 年，卷（期）: 2001,（6）
• 页码范围: 573-580
• 页数: 8页
• 分类号: O6
• 语种: 英文

摘要

The contribution of solvation energy to guding molecualr recognition for six rigid protein-peptide systems had been eval uated by the variation in the number of the identified native like configurations and in the driving force of specific interac tion resulting from the addition of the explicit solvation term in the force field function. The AMBER force field energy and the total energy including the force field energy and the WZS solvation energy were calculated for sampled configurations. The results obtained by the calculations of both force field and total energies were compared with each other. It suggests that specific recognition of the systems in which the ligands possess larger hydrophobic or aromatic residues while the protein re ceptors provide the active surfaces with hydrophobic property.