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Innovations and Implementations of Computer Aided Drug Discovery Strategies in Rational Drug Design (Paperback, 1st ed. 2021)
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Innovations and Implementations of Computer Aided Drug Discovery Strategies in Rational Drug Design (Paperback, 1st ed. 2021)
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This book presents various computer-aided drug discovery methods
for the design and development of ligand and structure-based drug
molecules. A wide variety of computational approaches are now being
used in various stages of drug discovery and development, as well
as in clinical studies. Yet, despite the rapid advances in computer
software and hardware, combined with the exponential growth in the
available biological information, there are many challenges that
still need to be addressed, as this book shows. In turn, it shares
valuable insights into receptor-ligand interactions in connection
with various biological functions and human diseases. The book
discusses a wide range of phylogenetic methods and highlights the
applications of Molecular Dynamics Simulation in the drug discovery
process. It also explores the application of quantum mechanics in
order to provide better accuracy when calculating protein-ligand
binding interactions and predicting binding affinities. In closing,
the book provides illustrative descriptions of major challenges
associated with computer-aided drug discovery for the development
of therapeutic drugs. Given its scope, it offers a valuable asset
for life sciences researchers, medicinal chemists and
bioinformaticians looking for the latest information on
computer-aided methodologies for drug development, together with
their applications in drug discovery.
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