Predoctoral Fellowships for Students with Disabilities

为残疾学生提供博士前奖学金

• 批准号: 7691230
• 负责人: JEREMY N BLOCK
• 金额: $ 2.61万
• 依托单位: DUKE UNIVERSITY
• 依托单位国家: 美国
• 财政年份: 2006
• 资助国家: 美国
• 起止时间: 2006-05-01 至 2009-12-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/7691230
• 关键词: Address; Agreement; Attention; Back; Bioinformatics; Biological Process; Characteristics; Chimera organism; Classification; Communities; Complement; Coupling; Data; Deposition; Disease; Drug Design; Effectiveness; Evaluation; Fellowship; Genetic Recombination; Goals; Heterogeneity; Homology Modeling; Hydrogen; Hydrogen Bonding; Imagery; Individual; Internet; Joints; Logic; Measures; Medical; Methodology; Methods; Modeling; Molecular; Molecular Conformation; Molecular Structure; NMR Spectroscopy; Names; Nuclear Magnetic Resonance; Pattern; Predoctoral Fellowship--Students with Disabilities; Process; Production; Proteins; Publishing; Research; Research Personnel; Residual state; Services; Structure; Students; Techniques; Testing; Time; Ubiquitin; Validation; Variant; Vertebral column; Work; c new; design; feeding; improved; macromolecule; novel; restraint; simulation; tool

DESCRIPTION (provided by applicant): The long-term goals of this project are to better understand, and to improve upon, the structural characterization and refinement processes for macromolecules by modifying new structure-improvement techniques (developed and proven effective for crystal structures) for application to Nuclear Magnetic Resonance Spectroscopy (NMR) structures. More accurate, detailed structures from either method will help in understanding biological function and aid the drug design and protein design work in numerous medical applications. The approach that will be employed is to use real-time-updatable visualizations that emphasize any poor matches of NMR distance restraints, all-atom steric contacts, backbone phi, psi angles, sidechain rotamers, and other geometry versus the current local model to enable either correction of individual conformations or definition of new restraints for further ensemble refinement, thus maximizing agreement both to data and other criteria. Methodology will be tested during refinement of new NMR structures, extended to other NMR experimental data types, and automated as far as feasible. All results, including any new methodologies, will be published and provided as a web service for use by students and researchers.

描述（由申请人提供）：该项目的长期目标是通过修改新的结构改进技术（已开发并证明对晶体结构有效）应用于核磁共振波谱（NMR）结构，更好地理解和改进大分子的结构表征和细化过程。任何一种方法的更准确、更详细的结构都将有助于理解生物功能，并有助于众多医学应用中的药物设计和蛋白质设计工作。将采用的方法是使用实​​时可更新的可视化，强调 NMR 距离限制、全原子空间接触、主链 phi、psi 角度、侧链旋转异构体和其他几何形状与当前局部模型的任何不良匹配，以校正单个构象或定义新的限制以进一步进行整体细化，从而最大限度地提高与数据和其他标准的一致性。方法将在新 NMR 结构的细化过程中进行测试，扩展到其他 NMR 实验数据类型，并尽可能实现自动化。所有结果，包括任何新方法，都将作为网络服务发布并提供给学生和研究人员使用。