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Image of - Quantum Mechanics In Drug Discovery | Paperback
Quantum Mechanics In Drug Discovery | Paperback

Quantum Mechanics In Drug Discovery | Paperback

by Heifetz A

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 Discoveryis a valuable resourcefor structural and molecular biologists, computational and medicinal chemists, pharmacologists, and drug designers.

Highlights

  • binding-icon

    9781071602843

    ISBN:

  • binding-icon

    Heifetz A

    Author:

  • binding-icon

    360

    Pages:

  • binding-icon

    210 gm

    Weight:

  • langauage-icon

    English

    Language:

  • date-icon

    2020

    Year:

  • edition-icon

    1st Edition

    Edition:

  • binding-icon

    Paperback

    Binding:

₹10508

₹13135

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 Discoveryis a valuable resourcefor structural and molecular biologists, computational and medicinal chemists, pharmacologists, and drug designers.

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