Next generation computational drug discovery (5 Ergebnisse)

Zustand: New.

HRD. Zustand: New. New Book. Shipped from UK. Established seller since 2000.

HRD. Zustand: New. New Book. Shipped from UK. Established seller since 2000.

Zustand: New. Mohammad Kalim Ahmad Khan is a Professor of Bioengineering and Course Coordinator for M.Tech (Bioinformatics) and B.Tech (Biotechnology) at Integral University, Lucknow. An MSc alumnus of the same institution, he has cultivated more than sixteen y.

Buch. Zustand: Neu. Neuware - This book presents the fundamental principles, contemporary methodologies, and practical applications that define modern computer¿aided 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 free¿energy calculations for robust hit¿tölead 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 Computer¿Aided 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 structure¿based drug discovery - Details machine learning applications for pharmacokinetic profiling, toxicity prediction, and lead prioritization - Discusses computational workflows for multi¿target 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.…