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: 6456828
• 负责人: YONG DUAN
• 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/6456828
• 关键词: biological products; biomedical resource; computers; nucleic acids; proteins; technology /technique

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 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. The molecular visualization software packages offered by the Computer Graphics Laboratory (i.e., MidasPlus) have been useful tools for the research.

我们正在使用分子动力学和连续溶剂方法， 获得洞察力的结合自由能的差异， 成熟抗体复合物和成熟抗体复合物。 酯溶解抗体48G7 与膦酸半抗原的结合强度是 种系抗体。 成熟抗体含有9种氨基酸， 与种系中相应的氨基酸不同 分子。 这些体细胞突变都不接触半抗原。 的 计算机提供的分子可视化软件包 图形实验室（即，MidasPlus）一直是 research.