Erscheint: Oktober 2026
Buch (Hardcover): Fachbuch
Next-Generation Computational Drug Discovery
Verlag:
Taylor & Francis Unsere-Artikel-Nr.: P36207033
EAN: 9781041140429
Erscheint: Oktober 2026
Versand: Kostenlos
-21.5 %
CHF 205.–
CHF 161.–
Beschreibung
This book presents the fundamental principles, contemporary methodologies, and practical applications that define modern computeraided drug design. It explores the integration of CryöEM structures, AlphaFold predictions, and homology modeling to expand structural insight into biologically relevant targets. In addition, it covers molecular docking, molecular dynamics simulations, enhanced sampling approaches, and freeenergy calculations for robust hittölead refinement. This book further examines in silico Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) prediction, quantitative structure-activity relationships, machine learning-based modeling, and network pharmacology frameworks applied across therapeutic areas, including oncology, infectious diseases, neurodegenerative disorders, and metabolic and cardiovascular conditions. Key Features:. Explores foundational and advanced ComputerAided Drug Design (CADD) techniques, including molecular docking, molecular dynamics simulations, in silico ADMET prediction, and network pharmacology. Integrates CryöEM, AlphaFold, and homology modeling to enhance structurebased drug discovery. Details machine learning applications for pharmacokinetic profiling, toxicity prediction, and lead prioritization. Discusses computational workflows for multitarget drug design across major therapeutic domains. Presents systems biology perspectives and translational case examples linking computational discovery to experimental validation. This book is intended for researchers and students in pharmaceutical sciences, computational biology, bioinformatics, and related disciplines.
Spezifikationen
Sprache
- Englisch
Autor
- Mohammad Kalim Ahmad Khan
- Mohammed Tarique
Zielgruppe
- Professional Reference
Erscheinungsjahr
- 2026
Format
- Buch (Hardcover)
Anzahl Seiten
- 256