Computer-Aided Drug Design : QSAR, Molecular Docking, Virtual Screening, Homology and Pharmacophore Modeling /

Computer-Aided Drug Design (CADD) is a comprehensive guide designed for both beginners and experienced users in CADD. This book covers the fundamental principles and gradually delves into more advanced concepts and techniques, making it an invaluable resource to anyone interested in CADD. It begins...

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Bibliographische Detailangaben
Hauptverfasser: Thakur, Aman (VerfasserIn), Goutam, Kiran (VerfasserIn), Mehta, Vineet (VerfasserIn), Nagu, Priyanka (VerfasserIn)
Format: E-Book
Sprache:Englisch
Veröffentlicht: Berlin ; Boston : De Gruyter, [2024]
2024
Schriftenreihe:De Gruyter Textbook
Schlagworte:
Arzneistoff.
Biochmie.
Wirkstoffdesign.
SCIENCE / Chemistry / Computational & Molecular Modeling.
umelá inteligencia
bioinformatika
vynález liekov
lekárska chémia
ISBN:9783111434858 (online)
Online-Zugang: Volltext
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Inhaltsangabe:
  • Frontmatter
  • Acknowledgments
  • Contents
  • Chapter 1 Introduction to computer-aided drug design (CADD)
  • Chapter 2 Quantitative structure-activity relationship
  • Chapter 3 Physicochemical parameters and QSAR
  • Chapter 4 Quantitative models in QSAR
  • Chapter 5 3D-QSAR in drug designing
  • Chapter 6 Statistical approaches used in the QSAR
  • Chapter 7 Molecular and quantum mechanics in drug designing
  • Chapter 8 Energy minimization techniques in molecular modeling
  • Chapter 9 Molecular docking and drug-receptor interactions
  • Chapter 10 ADMET analysis in CADD
  • Chapter 11 De novo drug designing approaches
  • Chapter 12 Homology modeling
  • Chapter 13 Pharmacophore mapping in computer-aided drug designing (CADD)
  • Chapter 14 Virtual screening approaches in the computer-aided drug designing
  • Index

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