T CELL RECEPTOR AFFINITY VIA FREE ENERGY MINIMIZATION

描述：(改编自申请者的摘要)病毒性疾病 许多原因，逃脱了各种广泛有效的抗生素治疗 可用于细菌的，相对较少的可通过接种疫苗预防。 本项目的长期目标是设计和生产可溶性、高纯度 亲和力T细胞受体(TCR)或TCR样蛋白(如抗体) 靶向临床重要的主要组织相容性复合体(MHC)-肽 结构。这种TCR或类似TCR的分子可直接用于体外 病毒感染的诊断，并可与毒素结合以杀死病毒 特别是被感染的细胞。本项目第一阶段的目标是应用 最新发展的结合自由能最小化计算方法 用于MHC-多肽复合物的高亲和力TCR的设计。计算性的 在第一阶段实施和验证的算法和软件将用于 设计新的TCR序列，将在项目第二阶段产生。 建议的商业应用：不可用

DESCRIPTION: (Adapted from the applicant's abstract) Viral diseases have, for a number of reasons, eluded the sorts of broadly effective antibiotic treatments available for bacteria, and relatively few can be prevented by vaccinations. The long-term goal of this project is to design and produce soluble, high affinity T cell receptors (TcR) or TcR-like proteins (e.g., antibodies) targeting clinically important Major Histocompatibility Complexes (MHC)-peptide structure. Such TcR or TcR-like molecules can be used directly for in vitro diagnostics of viral infection, and can be combined with toxins to kill virally infected cells specifically. The goal of Phase I of this project is to apply recently developed computational methods for binding free energy minimization to the design of high affinity TcR for MHC-peptide complexes. The computational algorithms and software implemented and validated in Phase I will be used to design novel TcR sequences, which will be produced in Phase II of the project. PROPOSED COMMERCIAL APPLICATION: NOT AVAILABLE