To ensure the continued advancement of the life sciences, it is necessary that an understanding of the significance and functions of carbohydrates (glycans) in human health and disease be widely available to all researchers in the life sciences. Current knowledge of these aspects of human physiology is considerable, but much of it is only available to experts in the glycosciences. Recently, there have been considerable advances in techniques computer modeling of carbohydrates, particularly those of relevance to human physiology and especially with regard to their interactions with proteins. However, as with most fields of relevance to glycobiology, access to these techniques has remained limited because only experts have the technological skills necessary to use them. This project proposes to develop internet-based software and educational resources that are freely available to all and that are designed especially for use by researchers in the life sciences. The long-term goal of this project is to enrich the discovery of glyco-based technologies and procedures that promote human health and extend life. We propose to generate a suite of online tools, ?Computational Glycosciences Portal? (CGP), designed specifically for use by biomedical researchers who are not specialists in glycobiology or in the computational sciences. The tools will be built on the GLYCAM-Web platform that already hosts several online tools widely used in the glycoscience community. Since the infrastructure for GLYCAM-Web has recently undergone significant upgrades, there is a solid technological base upon which to expand current capabilities and add new ones. In particular, we propose to implement established techniques as tools that will allow researchers to generate and analyze computer models of glycan-protein complexes, to predict the 3D structures of glycoproteins and glycolipids, and to validate the 3D models against experimental data. These tools will allow researchers to examine the origins of affinity in bound complexes, to better understand glycan array data, to investigate the transformative aspects of glycosylation, and to compare results of their studies to results from NMR experiments among others. But, most importantly, we will ensure that these tools are usable by researchers with general biomedical knowledge who are not necessarily conversant with glycobiology or the computational glycosciences. We will ensure this in two ways. One, we will consult with researchers in these fields to find out what they need from tools such as these. Wherever possible, we will construct the tools to reflect their advice. Two, also based on these consultations, we will generate high-quality, freely-available, online educational materials, designed for these researchers, that describe the tools and techniques.
In the past several years, certain scientific advances have greatly improved computer-generated models of carbohydrates of relevance to human health and disease. However, access to these techniques remains limited to experts because only they have the technological skills necessary to use them. This project proposes to develop internet-based software and educational resources that are freely available to all and that make these techniques especially usable by researchers in the life sciences who are not necessarily experts in glycobiology or in the computational glycosciences.
|Peng, Wenjie; Bouwman, Kim M; McBride, Ryan et al. (2018) Enhanced Human-Type Receptor Binding by Ferret-Transmissible H5N1 with a K193T Mutation. J Virol 92:|
|Nemanichvili, Nikoloz; Tomris, Ilhan; Turner, Hannah L et al. (2018) Fluorescent Trimeric Hemagglutinins Reveal Multivalent Receptor Binding Properties. J Mol Biol :|
|Makeneni, Spandana; Thieker, David F; Woods, Robert J (2018) Applying Pose Clustering and MD Simulations To Eliminate False Positives in Molecular Docking. J Chem Inf Model 58:605-614|
|Amon, Ron; Grant, Oliver C; Leviatan Ben-Arye, Shani et al. (2018) A combined computational-experimental approach to define the structural origin of antibody recognition of sialyl-Tn, a tumor-associated carbohydrate antigen. Sci Rep 8:10786|
|Zhao, Yuejie; Yang, Jeong Yeh; Thieker, David F et al. (2018) A Traveling Wave Ion Mobility Spectrometry (TWIMS) Study of the Robo1-Heparan Sulfate Interaction. J Am Soc Mass Spectrom 29:1153-1165|
|Yu, Jin; Grant, Oliver C; Pett, Christian et al. (2017) Induction of Antibodies Directed Against Branched Core O-Mannosyl Glycopeptides-Selectivity Complimentary to the ConA Lectin. Chemistry 23:3466-3473|
|de Vries, Robert P; Peng, Wenjie; Grant, Oliver C et al. (2017) Three mutations switch H7N9 influenza to human-type receptor specificity. PLoS Pathog 13:e1006390|
|Peng, Wenjie; de Vries, Robert P; Grant, Oliver C et al. (2017) Recent H3N2 Viruses Have Evolved Specificity for Extended, Branched Human-type Receptors, Conferring Potential for Increased Avidity. Cell Host Microbe 21:23-34|
|Wang, Zhangjie; Hsieh, Po-Hung; Xu, Yongmei et al. (2017) Synthesis of 3-O-Sulfated Oligosaccharides to Understand the Relationship between Structures and Functions of Heparan Sulfate. J Am Chem Soc :|
|Sheikh, M Osman; Thieker, David; Chalmers, Gordon et al. (2017) O2 sensing-associated glycosylation exposes the F-box-combining site of the Dictyostelium Skp1 subunit in E3 ubiquitin ligases. J Biol Chem 292:18897-18915|
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