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Titlebook: Structural Bioinformatics; Methods and Protocol Zoltán Gáspári Book 2020 Springer Science+Business Media, LLC, part of Springer Nature 2020

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Comparative Protein Structure Analysis with Bio3D-Web,ajor functionality includes structure database searching, sequence and structure conservation assessment, inter-conformer relationship mapping and clustering with principal component analysis (PCA), and flexibility prediction and comparison with ensemble normal mode analysis (eNMA). Collectively the
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Using Dali for Protein Structure Comparison,alignment (Dali) is used routinely by crystallographers worldwide to screen the database of known structures for similarity to newly determined structures. Dali is easily accessible through the web server (.). Alternatively, the program may be downloaded and pairwise comparisons performed locally on
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Contact Area-Based Structural Analysis of Proteins and Their Complexes Using CAD-Score,protein modeling and protein-protein docking methods. Measuring conformational differences of proteins or protein complexes is also important in other areas of structural biology such as molecular dynamics and crystallography. There are multiple scores to do that. However, nearly all of them, whethe
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A Comprehensive Computational Platform to Guide Drug Development Using Graph-Based Signature Methodf drug development. By designing ligands tailored to specific protein structures in a disease of interest, an understanding of molecular interactions and ways to optimize them can be achieved prior to chemical synthesis. This understanding can help direct crucial chemical and biological experiments
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Systematic Exploration of Binding Modes of Ligands on Drug Targets,rimental and theoretical methods available for the determination of atomic resolution structure of drug-target complexes, they are often limited to identify only the primary binding mode (site and conformation). Systematic exploration of multiple (allosteric or prerequisite) binding modes is a chall
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