Key Features
· Presents the concepts and evolution of classical techniques, up to the use of modern methods based on computational chemistry in accessible format.
· Gives a primer on structure- and ligand-based drug design and their predictive capacity to discover new drugs.
· Explains theoretical fundamentals and applications of computer-aided drug design.
· Focuses on a range of applications of the computations tools, such as molecular docking; molecular dynamics simulations; homology modeling, pharmacophore modeling, quantitative structure-activity relationships (QSAR), density functional theory (DFT), fragment-based drug design (FBDD), and free energy perturbation (FEP).
· Includes scientific reference for advanced readers
Readership
Students, teachers and early career researchers.
Loading...
Loading...
