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Showing 1 to 3 of 3 for “"virtual libraries"”.

  1. Design, Synthesis, and Evaluation of Small Molecules in the Discovery of Novel Antimicrobial Agents

    … library approach to drug design, in which large virtual libraries against the target are generated and filtered, based on pharmacophoric and structural constraints, to produce smaller and more structurally complex libraries prioritized for synthesis. In this work, bi-aryl sulfonamide libraries

    tenn-hsc Repository record for Design, Synthesis, and Evaluation of Small Molecules in the Discovery of Novel Antimicrobial Agents (opens in a new tab)

  2. Structure- and Ligand-Based Design of Novel Antimicrobial Agents

    … a screening structure for high-throughput virtual screening, molecular dynamics simulations were applied to model the conformations of the unresolved loops in the active site. Several series of molecular dynamics simulations were designed and performed utilizing enzyme substrates and …

    tenn-hsc Repository record for Structure- and Ligand-Based Design of Novel Antimicrobial Agents (opens in a new tab)

  3. Discovering a Descriptive Taxonomy of Attributes of Exemplary School Library Websites

    This descriptive study examines effective online school library practice. A Delphi panel selected a sample of 10 exemplary sites and helped to create two research tools--taxonomies designed to analyze the features and characteristics of school library Websites. Using the expert-identified sites as …

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