rdf-syntax-grammar
mods:
  schema location: http://www.loc.gov/mods/v3 http://www.loc.gov/standards/mods/v3/mods-3-2.xsd
  title info:
    title: Biophysical and Computational Tools in Drug Discovery
  name:
    name part: Saxena, Anil Kumar.
    role:
      role term: editor.
    role:
      role term: edt
    role:
      role term: http://id.loc.gov/vocabulary/relators/edt
  name:
    name part: SpringerLink (Online service)
  type of resource: text
  genre: Electronic books.
  origin info:
    place:
      place term: sz
    date issued: 2021
    edition: 1st ed. 2021.
    issuance: monographic
  language:
    language term: eng
  physical description:
    reformatting quality: access
    form: remote
    extent: 1 online resource (VIII, 402 pages 34 illustrations, 20 illustrations in color.)
  abstract: This book reviews recent physicochemical and biophysical techniques applied in drug discovery research, and it outlines the latest advances in computational drug design. Divided into 10 chapters, the book discusses about the role of structural biology in drug discovery, and offers useful application cases of several biophysical and computational methods, including time-resolved fluorometry (TRF) with Förster resonance energy transfer (FRET), X-Ray crystallography, nuclear magnetic resonance spectroscopy, mass spectroscopy, generative machine learning for inverse molecular design, quantum mechanics/molecular mechanics (QM/MM,ONIOM) and quantum molecular dynamics (QMT) methods. Particular attention is given to computational search techniques applied to peptide vaccines using novel mathematical descriptors and structure and ligand-based virtual screening techniques in drug discovery research. Given its scope, the book is a valuable resource for students, researchers and professionals from pharmaceutical industry interested in drug design and discovery.
  table of contents: Kinetic profiling of fragments by TR-FRET -- Role of Structural biology in drug discovery with emphasis on X-ray crystallography -- A computational search for peptide vaccines using novel mathematical descriptors of sequences of emerging pathogens -- Solution NMR methods in Drug Discovery for the series -- Applications of Mass Spectrometry in Herbal Drug Research -- Generative machine learning for drug discovery -- Structure and ligand based virtual screening in drug discovery -- Quantum Chemical and Quantum Dynamics Techniques for Drug Discovery Including Bioinorganic Compounds.
  note: edited by Anil Kumar Saxena.
  subject:
    topic: Medicinal chemistry
  subject:
    topic: Chemistry
  subject:
    topic: Physical chemistry
  subject:
    topic: Biology-Technique
  subject:
    topic: Chemoinformatics
  subject:
    topic: Medicinal Chemistry
  subject:
    topic: Chemistry/Food Science, general
  subject:
    topic: Physical Chemistry
  subject:
    topic: Biological Techniques
  subject:
    topic: Computer Applications in Chemistry
  classification: RS400-431
  classification: 615.19
  related item:
    title info:
      title: Springer Nature eBook
  related item:
    title info:
      title: Topics in Medicinal Chemistry, 37
  identifier: 9783030852818
  identifier: http://proxy.library.tamu.edu/login
  record info:
    record creation date: 211018
    record change date: 20230330185225.0
    record identifier: in00004377560