PEPTIDE & PROTEIN FOLDING & THERMODYNAMICS VIA COMPUTER SIMULATION: THEORY

肽

• 批准号: 6295145
• 负责人: CHARLES L BROOKS
• 金额: $ 1.19万
• 依托单位: MELLON PITTS CORPORATION (MPC CORP)
• 依托单位国家: 美国
• 财政年份: 1998
• 资助国家: 美国
• 起止时间: 1998-09-30 至 1999-07-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/6295145
• 关键词: biological products; biomedical resource; computers; proteins

Support is requested for advanced computing resources to study protein and peptide folding and thermodynamics. One area of focus is helix propagation 310 helices. These studies will lend insight into secondary structure formation in the initial stages of protein folding. Early stages in protein folding will be explored through the characterization of peptide fragments from helical proteins. Studies of protein folding for myoglobin and the IGg binding domain of protein G will be made. Comparisons with experiment and theoretical models for protein folding will follow through calculations of experimentally observable spectroscopic properties related to amide H/D exchange protection and circular dichroism. We also plan to continue to develop heterogeneous coupled computational models which will make efficient use of the Cray YMP C90 and the massively parallel T3D architecture as well as focusing on the T3D alone.

要求支持高级计算资源进行研究