IMPLICIT SOLVATION MODELS FOR PROTEINS, NUCLEIC ACIDS & MEMBRANES

蛋白质、核酸的隐式溶剂化模型

• 批准号: 7957341
• 负责人: CHARLES L BROOKS
• 金额: $ 4.57万
• 依托单位: UNIVERSITY OF MICHIGAN AT ANN ARBOR
• 依托单位国家: 美国
• 财政年份: 2009
• 资助国家: 美国
• 起止时间: 2009-09-01 至 2010-08-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/7957341
• 关键词: Binding; Computer Retrieval of Information on Scientific Projects Database; Development; Environment; Funding; Grant; Homology Modeling; Institution; Integral Membrane Protein; Membrane; Modeling; Nucleic Acids; Peptides; Proteins; Research; Research Personnel; Research Project Grants; Resources; Solutions; Solvents; Source; Structure; System; United States National Institutes of Health; aqueous; direct application; membrane model; multi-scale modeling; nucleic acid structure; protein folding; restraint; structural biology; tool

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. This core research project is aimed at the development of implicit solvent models for representation of aqueous and membrane environments for the purposes of exploring the folding and modeling of soluble proteins, nucleic acids and integral membrane proteins and peptides. The focus has been in the exploration of generalized Born implicit solvent/implicit membrane models and extensions of the treatment of long-range dispersion interactions in these systems. Applications are directed to the folding of proteins and peptides in aqueous solution, the refinement of structure in the presence of NMR derived restraints, the folding and structure determination of membrane bound peptides and proteins, the characterization of nucleic acid structure and dynamics and the development of homology models

这个子项目是许多研究子项目中的一个 由NIH/NCRR资助的中心赠款提供的资源。子项目和 研究者（PI）可能从另一个NIH来源获得了主要资金， 因此可以在其他CRISP条目中表示。所列机构为 研究中心，而研究中心不一定是研究者所在的机构。 该核心研究项目旨在开发用于表示水和膜环境的隐式溶剂模型，以探索可溶性蛋白质，核酸和整合膜蛋白质和肽的折叠和建模。重点一直在探索广义玻恩隐式溶剂/隐式膜模型和扩展的治疗在这些系统中的远程分散相互作用。应用是针对蛋白质和肽在水溶液中的折叠，在NMR衍生的限制存在下结构的细化，膜结合肽和蛋白质的折叠和结构测定，核酸结构和动力学的表征以及同源模型的开发