@article{945120,
      author = {Singh, Dev Bukhsh.,},
      url = {http://library.usi.edu/record/945120},
      title = {Computer-Aided Drug Design /},
      abstract = {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. It also explores  computational approaches for identifying potential drug  targets and for pharmacophore modeling. Moreover, it  presents structure- and ligand-based drug design tools to  optimize known drugs and guide the design of new molecules.  The book also describes methods for identifying  small-molecule binding pockets in proteins, and summarizes  the databases used to explore the essential properties of  drugs, drug-like small molecules and their targets. In  addition, the book highlights various tools to predict the  absorption, distribution, metabolism, excretion (ADME) and  toxicity (T) of potential drug candidates. Lastly, it  reviews in silico tools that can facilitate vaccine design  and discusses their limitations.},
      doi = {https://doi.org/10.1007/978-981-15-6815-2.},
      recid = {945120},
      pages = {1 online resource (xiii, 306 pages) :},
}