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Quantum Mechanics in Drug Discovery Paperback / softback
Edited by Alexander Heifetz
Part of the Methods in Molecular Biology series
Paperback / softback
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Description
This volume looks at applications of quantum mechanical (QM) methods in drug discovery.
The chapters in this book describe how QM approaches can be applied to address key drug discovery issues, such as characterizing protein-water-ligand and protein-protein interactions, providing estimates of binding affinities, determining ligand energies and bioactive conformations, refinement of molecular geometries, scoring docked protein–ligand poses, describing molecular similarity, structure–activity-relationship (SAR) analysis, and ADMET prediction.
Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary software and tools, step-by-step, readily reproducible modeling protocols, and tips on troubleshooting and avoiding known pitfalls.
Cutting-edge and unique, Quantum Mechanics in Drug Discovery is a valuable resourcefor structural and molecular biologists, computational and medicinal chemists, pharmacologists, and drug designers.
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Out of Stock - We are unable to provide an estimated availability date for this product
- Format:Paperback / softback
- Pages:360 pages, 117 Illustrations, color; 33 Illustrations, black and white; X, 360 p. 150 illus., 117 il
- Publisher:Springer-Verlag New York Inc.
- Publication Date:04/02/2021
- Category:
- ISBN:9781071602843
Information
-
Out of Stock - We are unable to provide an estimated availability date for this product
- Format:Paperback / softback
- Pages:360 pages, 117 Illustrations, color; 33 Illustrations, black and white; X, 360 p. 150 illus., 117 il
- Publisher:Springer-Verlag New York Inc.
- Publication Date:04/02/2021
- Category:
- ISBN:9781071602843