FREE ENERGY ANALYSIS OF ESTEROLYTIC ANTIBODY HAPTEN COMPLEXES

酯解抗体半抗原复合物的自由能分析

• 批准号: 6456688
• 负责人: LILLIAN T CHONG
• 金额: $ 27.32万
• 依托单位: UNIVERSITY OF CALIFORNIA, SAN FRANCISCO
• 依托单位国家: 美国
• 财政年份: 2001
• 资助国家: 美国
• 起止时间: 2001-07-01 至 2003-08-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/6456688
• 关键词: bacteria; bioengineering /biomedical engineering; biological products; biomedical resource; enzymes; infection; nucleic acids; proteins; virus

The esterolytic antibody 48G7 binds its phosphonate hapten 31,000 times more tightly than its germline antibody. The mature antibody contains nine amino acids that are different from the corresponding amino acids in the germline molecule. None of these somatic mutations contact the hapten. We are using molecular dynamics and continuum solvent methods to gain insight into the difference in the binding free energies of the mature and germinal antibody complexes. The molecular visualization software packages offered by the Computer Graphics Laboratory (i.e., MidasPlus) have been useful tools for the research.

酯解抗体 48G7 结合其磷酸酯半抗原 31,000 比其种系抗体更紧密。 成熟抗体 含有九种与相应氨基酸不同的氨基酸 种系分子中的氨基酸。 这些体细胞突变都没有 联系半抗原。 我们正在使用分子动力学和连续统 溶剂方法以深入了解结合的差异 成熟和生发抗体复合物的自由能。 这 计算机提供的分子可视化软件包 图形实验室（即 MidasPlus）对于 研究。