Computer-aided drug design
- Singapore: Springer, c2020.
1 Computational Approaches in Drug Discovery and Design -- 2 Molecular Modeling of Proteins: Methods, Recent Advances and Future Prospects -- 3 Cavity/Binding Site Prediction Approaches, and their Applications -- 4 Role of ADMET Tools in Current Scenario; Application and Limitations -- 5 Database Resources for Drug Discovery -- 6 Molecular Docking and Structure-Based Drug Design -- 7 Molecular Dynamics Simulation of Protein and Protein-Ligand Complexes -- 8 Computational Approaches for Drug Target Identification -- 9 Computational Screening Techniques for Lead Design and Development -- 10 Advances in Pharmacophore Modeling and its Role in Drug Designing -- 11 In Silico Designing of Vaccines: Methods, Tools and Their Limitations -- 12 Machine learning Approaches to Rational Drug Design.
This book provides up-to-date information on bioinformatics tools for the discovery and development of new drug molecules. It discusses a range of computational applications, including three-dimensional modeling of protein structures, protein-ligand docking, and molecular dynamics simulation of protein-ligand complexes for identifying desirable drug candidates.