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Molecular

分子

基本信息

批准号：
8335541
负责人：
MICHAEL V. SEIDEN
金额：
$ 2.67万
依托单位：
FOX CHASE CANCER CENTER
依托单位国家：
美国
项目类别：
财政年份：
2011
资助国家：
美国
起止时间：
2011-07-21 至 2014-06-30
项目状态：
已结题

来源：
https://reporter.nih.gov/project-details/8335541
关键词：
Affect Amino Acid Sequence Binding Binding Proteins Binding Sites Biological Biological Process Biological Testing Biology Cancer Center Support Grant Charge Chemicals Comprehensive Cancer Center Computational Technique Computer Assisted Computer Simulation Computer software Computing Methodologies DNA Data Databases Disease Docking Drug Design Fox Chase Cancer Center Foxes Funding General Population Genes Genetic Polymorphism Genome Homo Homologous Protein Homology Modeling Human Hydrophobicity Inherited Instruction Intervention Knowledge Lead Left Ligands Location Maps Methods Modeling Molecular Molecular Models Mutagenesis Mutation Nuclear Magnetic Resonance Patients Pattern Peer Review Peptide Hydrolases Peptide Sequence Determination Peptides Phosphotransferases Phylogenetic Analysis Positioning Attribute Principal Investigator Process Protein Family Protein Region Protein Sequence Analysis Protein Structure Initiative Proteins Protocols documentation Research Research Personnel Resources Sequence Alignment Sequence Analysis Services Side Site Specificity Structural Models Structure Technology Time Translational Research Trees Two-Dimensional Gel Electrophoresis Vertebral column X-Ray Crystallography alpha helix base beta pleated sheet comparative complex biological systems design graphical user interface inhibitor/antagonist insertion/deletion mutation interest molecular modeling physical property programs protein complex protein folding protein structure protein structure function research study small molecule src Homology Region 2 Domain three dimensional structure three-dimensional modeling tool yeast two hybrid system

项目摘要

PROJECT SUMMARY (See instructions): The Molecular Modeling Facility (MMF) provides state-of-the-art services in protein sequence analysis and structure prediction to Fox Chase Cancer Center (FCCC) investigators. These services include database searches, multiple sequence alignments, phylogenetic tree comparisons, secondary structure predictions, transmembrane, coiled-coil and disordered region predictions, homology modeling of single proteins and complexes, protein-protein and protein-ligand docking, and ligand design. The Facility has been operating since 2003, and was approved as a CCSG resource at the last review. Currently, at least one-half of sequenced proteins are homologous at least in part to a protein of known structure. Homology modeling methods use known structures to build three-dimensional models of target proteins and protein complexes of unknown structure. These models can be used to predict functional interactions with other molecules, to explain existing experimental data, to generate testable hypotheses, and in some cases to become the basis for design of specific inhibitors for translational research. The Facility has performed services for 48 principal investigators with peer-reviewed funding in all five Research Programs since 2005. The Facility and the Facility Director's research group have developed new software for automating the modeling process to allow Facility staff more time to concentrate on the biological problem under study. In particular, they have developed methods for predicting the structures of protein homo- and heterooligomers, which comprise many important functional interactions. This software is extensible, so that it allows new tools to be incorporated into the same graphical user interface as they become available. As technologies such as two-hybrid interaction mapping and two-dimensional gel electrophoresis allow investigators to identify functional and physical Interactions of larger numbers of proteins, the demand for detailed structural information will grow rapidly. The use of this Facility is therefore expected to grow significantly over the next five years. The services of the Facility will provide increasingly important information for understanding complex biological systems.

项目总结（见说明）：分子模拟设备（MMF）提供蛋白质序列分析的最先进服务福克斯蔡斯癌症中心（Fox Chase Cancer Center，FCCC）的研究人员。这些服务包括数据库搜索、多序列比对、系统发育树比较、二级结构预测、跨膜、卷曲螺旋和无序区域预测、单个蛋白质和复合物的同源性建模、蛋白质-蛋白质和蛋白质-配体对接以及配体设计。该基金自2003年以来一直在运作，并在上次审查中被批准为CCSG资源。目前，至少一半的测序蛋白质至少部分地与已知结构的蛋白质同源。同源建模方法使用已知的结构来构建未知结构的目标蛋白质和蛋白质复合物的三维模型。这些模型可用于预测与其他分子的功能相互作用，解释现有的实验数据，产生可检验的假设，并且在某些情况下成为设计用于转化研究的特异性抑制剂的基础。自2005年以来，该设施已在所有五个研究项目中为48名主要研究者提供了同行评审资金。该设施和设施主任的研究小组已经开发了新的软件，用于自动化建模过程，使设施工作人员有更多的时间集中在生物学上。正在研究的问题。特别是，他们已经开发出预测蛋白质同源和异源寡聚体结构的方法，这些结构包含许多重要的功能相互作用。该软件是可扩展的，因此当新工具可用时，它允许将它们合并到相同的图形用户界面中。随着双杂交相互作用图谱和二维凝胶电泳等技术的发展，研究人员可以识别大量蛋白质的功能和物理相互作用，对详细结构信息的需求将迅速增长。因此，预计在今后五年内，该基金的使用将大幅增加。该设施的服务将为了解复杂的生物系统提供越来越重要的信息。