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Humana Quantum Mechanics in Drug Discovery - Methods in Molecular Biology 2114

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Description

Quantum Mechanics in Drug Discovery explores practical applications of quantum mechanical methods throughout the drug discovery pipeline. This comprehensive volume from the Methods in Molecular Biology series demonstrates how QM approaches solve critical challenges including protein-water-ligand and protein-protein interaction characterization, binding affinity estimation, ligand energy determination, and bioactive conformation identification. The book covers molecular geometry refinement, protein-ligand pose scoring, molecular similarity assessment, structure-activity-relationship analysis, and ADMET prediction techniques. Written in Humana's established Methods in Molecular Biology format, this volume 2114 serves as an essential reference for computational chemists, medicinal chemists, and researchers implementing quantum mechanical strategies in drug development programmes.

Key Features

Covers quantum mechanical methods for characterizing protein-water-ligand and protein-protein interactions in drug discovery applications.

Provides techniques for binding affinity estimation and ligand energy determination using QM approaches.

Includes methods for identifying bioactive conformations and refining molecular geometries in computational drug design.

Addresses protein-ligand pose scoring and molecular similarity assessment for drug discovery workflows.

Explores structure-activity-relationship analysis and ADMET prediction using quantum mechanics.

Product Specifications

Brand
Humana
Format
hardcover
Domain
Amazon UK
Release Date
04 February 2020
Listed Since
02 October 2019

Barcode

No barcode data available

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