Bioinformatics Techniques for Drug Discovery, 1st ed. 2018 Applications for Complex Diseases SpringerBriefs in Computer Science Series

The application of bioinformatics approaches in drug design involves an interdisciplinary array of sophisticated techniques and software tools to elucidate hidden or complex biological data. This work reviews the latest bioinformatics approaches used for drug discovery. The text covers ligand-based and structure-based approaches for computer-aided drug design, 3D pharmacophore modeling, molecular dynamics simulation, the thermodynamics of ligand?receptor and ligand?enzyme association, thermodynamic characterization and optimization, and techniques for computational genomics and proteomics.

Brief Introduction.- Ligand-Based Approaches for Drug Design Using Computational Techniques.- Structure-Based Approaches for Drug Design Using Computational Technique.- Three-Dimensional Pharmacophore Modeling-Based Drug Design Using Computational Techniques.- Molecular Dynamics Simulation Approaches to Investigate the Dynamic Behavior of a System Through the Application of Newtonian Mechanics.- Receptor Thermodynamics of Ligand−Receptor and Ligand−Enzyme Association.- Thermodynamics Cycles and Their Application in Protein Targets.- Genomics and Proteomics Using Computational Biology.