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The Experts below are selected from a list of 46428 Experts worldwide ranked by ideXlab platform

Michael Jourdan - One of the best experts on this subject based on the ideXlab platform.

Robert J Woods - One of the best experts on this subject based on the ideXlab platform.

  • Computational Screening of the Human TF-Glycome Provides a Structural Definition for the Specificity of Anti-Tumor Antibody JAA-F11
    2016
    Co-Authors: Matthew B Tessier, Oliver C Grant, Snehal Jadey, Andrew M Gulick, John Glushka, Susan L Deutscher, Jamie Heimburg-molinaro, David Smith, Kate Rittenhouse-olson, Robert J Woods
    Abstract:

    Recombinant antibodies are of profound clinical significance; yet, anti-carbohydrate antibodies are prone to undesirable cross-reactivity with structurally related-glycans. Here we introduce a new technology called Computational Carbohydrate Grafting (CCG), which enables a Virtual Library of glycans to be assessed for protein binding specificity, and employ it to define the scope and structural origin of the binding specificity of antibody JAA-F11 for glycans containing the Thomsen-Friedenreich (TF) human tumor antigen. A Virtual Library of the entire human glycome (GLibrary-3D) was constructed, from which 1,182 TF-containing human glycans were identified and assessed for their ability to fit into the antibody combining site. The glycans were categorized into putative binders, or non-binders, on the basis of steric clashes with the antibody surface. The analysis employed a structure of the immune complex, generated by docking the TF-disaccharide (Galb1-3GalNAca) into a crystal structure of the JAA-F11 antigen binding fragment, which was shown to be consistent with saturation transfer difference (STD) NMR data. The specificities predicted by CCG were fully consistent with data from experimental glycan array screening, and confirmed that the antibody is selective for the TF-antigen and certain extended core-2 type mucins. Additionally, the CCG analysis identified a limited number of related putative binding motifs, an

  • computational screening of the human tf glycome provides a structural definition for the specificity of anti tumor antibody jaa f11
    PLOS ONE, 2013
    Co-Authors: Matthew B Tessier, Oliver C Grant, Jamie Heimburgmolinaro, David F Smith, Snehal Jadey, Andrew M Gulick, John Glushka, Susan L Deutscher, Kate Rittenhouseolson, Robert J Woods
    Abstract:

    Recombinant antibodies are of profound clinical significance; yet, anti-carbohydrate antibodies are prone to undesirable cross-reactivity with structurally related-glycans. Here we introduce a new technology called Computational Carbohydrate Grafting (CCG), which enables a Virtual Library of glycans to be assessed for protein binding specificity, and employ it to define the scope and structural origin of the binding specificity of antibody JAA-F11 for glycans containing the Thomsen-Friedenreich (TF) human tumor antigen. A Virtual Library of the entire human glycome (GLibrary-3D) was constructed, from which 1,182 TF-containing human glycans were identified and assessed for their ability to fit into the antibody combining site. The glycans were categorized into putative binders, or non-binders, on the basis of steric clashes with the antibody surface. The analysis employed a structure of the immune complex, generated by docking the TF-disaccharide (Galβ1-3GalNAcα) into a crystal structure of the JAA-F11 antigen binding fragment, which was shown to be consistent with saturation transfer difference (STD) NMR data. The specificities predicted by CCG were fully consistent with data from experimental glycan array screening, and confirmed that the antibody is selective for the TF-antigen and certain extended core-2 type mucins. Additionally, the CCG analysis identified a limited number of related putative binding motifs, and provided a structural basis for interpreting the specificity. CCG can be utilized to facilitate clinical applications through the determination of the three-dimensional interaction of glycans with proteins, thus augmenting drug and vaccine development techniques that seek to optimize the specificity and affinity of neutralizing proteins, which target glycans associated with diseases including cancer and HIV.

Michele Ramirezweinhouse - One of the best experts on this subject based on the ideXlab platform.

  • pfizer global Virtual Library pgvl a chemistry design tool powered by experimentally validated parallel synthesis information
    ACS Combinatorial Science, 2012
    Co-Authors: Zhengwei Peng, Jaroslav Kostrowicki, Scott Channing Sutton, Bo Yang, Thomas Thacher, Xianjun Kong, Sarathy Mattaparti, Joe Zhongxiang Zhou, Javier Gonzalez, Michele Ramirezweinhouse
    Abstract:

    An unprecedented amount of parallel synthesis information was accumulated within Pfizer over the past 12 years. This information was captured by an informatics tool known as PGVL (Pfizer Global Virtual Library). PGVL was used for many aspects of drug discovery including automated reactant mining and reaction product formation to build a synthetically feasible Virtual compound collection. In this report, PGVL is discussed in detail. The chemistry information within PGVL has been used to extract synthesis and design information using an intuitive desktop Graphic User Interface, PGVL Hub. Several real-case examples of PGVL are also presented.

Rodríguez Yunta Luis - One of the best experts on this subject based on the ideXlab platform.

  • Directorios temáticos en Internet como herramienta de difusión de la ciencia. Análisis comparativo
    2007
    Co-Authors: Maldonado Martínez Ángeles, Rodríguez Yunta Luis
    Abstract:

    [EN] The aims of this paper are to describe and compare the main subject guides of web resources used in Spain: Intute (UK), Infomine (USA), The Virtual Library of WWW (International), Open Directory Project (International), Yahoo! Directory (International) and Tecnociencia (Spain). All of them have an interdisciplinary scope containing resources specialized in all of scientific domains: Science and Technology, Social Science, Arts and Humanities and Health and Life Sciences. The issues analyses are: year of launch, institutional information, distribution of subjects, documental analysis, searching and browsing, additional services and help materials.[ES] En Internet un directorio temático es una agrupación organizada de direcciones web. Los directorios temáticos especializados son elementos importantes en la difusión de ciencia, pues reúnen, organizan y describen sitios web con información científica de interés. Esta comunicación tiene el objetivo en primer lugar de presentar por separado las características de los directorios temáticos multidisciplinares más relevantes: Intute, Infomine, Virtual Library (VL), Open Directory Project (ODP), Yahoo! Directory y Tecnociencia; en segundo lugar realizar un análisis comparativo de los mismos. Los puntos tratados y comparados son: dependencia institucional, cobertura temática y geográfica, modelo de análisis de recursos, sistemas de navegación y recuperación, servicios adicionales y materiales de ayuda.Peer reviewe

  • Directorios temáticos en Internet como herramienta de difusión de la ciencia. Análisis comparativo
    'Editorial CSIC', 2007
    Co-Authors: Maldonado Martínez Ángeles, Rodríguez Yunta Luis
    Abstract:

    The aims of this paper are to describe and compare the main subject guides of web resources used in Spain: Intute (UK), Infomine (USA), The Virtual Library of WWW (International), Open Directory Project (International), Yahoo! Directory (International) and Tecnociencia (Spain). All of them have an interdisciplinary scope containing resources specialized in all of scientific domains: Science and Technology, Social Science, Arts and Humanities and Health and Life Sciences. The issues analyses are: year of launch, institutional information, distribution of subjects, documental analysis, searching and browsing, additional services and help materials

Matthew B Tessier - One of the best experts on this subject based on the ideXlab platform.

  • Computational Screening of the Human TF-Glycome Provides a Structural Definition for the Specificity of Anti-Tumor Antibody JAA-F11
    2016
    Co-Authors: Matthew B Tessier, Oliver C Grant, Snehal Jadey, Andrew M Gulick, John Glushka, Susan L Deutscher, Jamie Heimburg-molinaro, David Smith, Kate Rittenhouse-olson, Robert J Woods
    Abstract:

    Recombinant antibodies are of profound clinical significance; yet, anti-carbohydrate antibodies are prone to undesirable cross-reactivity with structurally related-glycans. Here we introduce a new technology called Computational Carbohydrate Grafting (CCG), which enables a Virtual Library of glycans to be assessed for protein binding specificity, and employ it to define the scope and structural origin of the binding specificity of antibody JAA-F11 for glycans containing the Thomsen-Friedenreich (TF) human tumor antigen. A Virtual Library of the entire human glycome (GLibrary-3D) was constructed, from which 1,182 TF-containing human glycans were identified and assessed for their ability to fit into the antibody combining site. The glycans were categorized into putative binders, or non-binders, on the basis of steric clashes with the antibody surface. The analysis employed a structure of the immune complex, generated by docking the TF-disaccharide (Galb1-3GalNAca) into a crystal structure of the JAA-F11 antigen binding fragment, which was shown to be consistent with saturation transfer difference (STD) NMR data. The specificities predicted by CCG were fully consistent with data from experimental glycan array screening, and confirmed that the antibody is selective for the TF-antigen and certain extended core-2 type mucins. Additionally, the CCG analysis identified a limited number of related putative binding motifs, an

  • computational screening of the human tf glycome provides a structural definition for the specificity of anti tumor antibody jaa f11
    PLOS ONE, 2013
    Co-Authors: Matthew B Tessier, Oliver C Grant, Jamie Heimburgmolinaro, David F Smith, Snehal Jadey, Andrew M Gulick, John Glushka, Susan L Deutscher, Kate Rittenhouseolson, Robert J Woods
    Abstract:

    Recombinant antibodies are of profound clinical significance; yet, anti-carbohydrate antibodies are prone to undesirable cross-reactivity with structurally related-glycans. Here we introduce a new technology called Computational Carbohydrate Grafting (CCG), which enables a Virtual Library of glycans to be assessed for protein binding specificity, and employ it to define the scope and structural origin of the binding specificity of antibody JAA-F11 for glycans containing the Thomsen-Friedenreich (TF) human tumor antigen. A Virtual Library of the entire human glycome (GLibrary-3D) was constructed, from which 1,182 TF-containing human glycans were identified and assessed for their ability to fit into the antibody combining site. The glycans were categorized into putative binders, or non-binders, on the basis of steric clashes with the antibody surface. The analysis employed a structure of the immune complex, generated by docking the TF-disaccharide (Galβ1-3GalNAcα) into a crystal structure of the JAA-F11 antigen binding fragment, which was shown to be consistent with saturation transfer difference (STD) NMR data. The specificities predicted by CCG were fully consistent with data from experimental glycan array screening, and confirmed that the antibody is selective for the TF-antigen and certain extended core-2 type mucins. Additionally, the CCG analysis identified a limited number of related putative binding motifs, and provided a structural basis for interpreting the specificity. CCG can be utilized to facilitate clinical applications through the determination of the three-dimensional interaction of glycans with proteins, thus augmenting drug and vaccine development techniques that seek to optimize the specificity and affinity of neutralizing proteins, which target glycans associated with diseases including cancer and HIV.