DNA BINDING STUDY OF OLIGOAMIDE DRUGS

寡酰胺药物的 DNA 结合研究

• 批准号: 6295208
• 负责人: NEOCLES B LEONTIS
• 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/6295208
• 关键词: biological products; biomedical resource; computers; drug /agent; genetics

This proposal describes the development of new methods for quantum chemistry (both SCF and electron correlation methodologies), molecular dynamics, and protein folding simulations. In all cases the codes have been highly optimized and demonstrate superior performance when compared to plausible alternatives; both serial and massively parallel implementations will be pursued. Applications include understanding charge separation in the photosynthetic reaction center, determination of protein structure from a minimal set of NMR data, and studies of helix stability via quantum chemical calculations in solution.

这一建议描述了量子新方法的发展