Produktbild: Quantum Mechanics in Drug Discovery

Quantum Mechanics in Drug Discovery

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139,09 €

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Methods in Molecular Biology 2114

ISBN: 1071602845
ISBN 13: 9781071602843
Herausgeber: Alexander Heifetz
Verlag: Springer Verlag GmbH
Umfang: x, 360 S., 33 s/w Illustr., 117 farbige Illustr., 360 p. 150 illus., 117 illus. in color.
Erscheinungsdatum: 04.02.2021
Auflage: 1/2021
Produktform: Kartoniert
Einband: Kartoniert

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. Cuttingedge and unique, Quantum Mechanics in Drug Discovery is a valuable resource for structural and molecular biologists, computational and medicinal chemists, pharmacologists, and drug designers.

Artikelnummer: 569934 Kategorie:

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E-Mail: juergen.hartmann@springer.com

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