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Description
The first book in the newly created book series, Computer-Aided Drug Discovery and Design, focuses on the computational aspects of early drug discovery, drug target identification, and validation. It revises current classical paradigms in target and phenotypic-based drug design with still ingrained approximations and concepts and discusses the research in the new network approach concept that include kinetic selectivity and metabolic analysis.
Table of Contents
Drug discovery paradigms: target-based drug discovery.- Drug discovery paradigms: phenotypic-based drug discovery.- Target Identification Approaches in Drug Discovery.- Introduction to target validation.- Structure-based binding pocket detection and druggability assessment.- Network-Based Target Identification.- The Current State of Precision Medicine and Targeted-Cancer Therapies – Where are We?.- Metabolic Control Analysis for drug target selection against human diseases.- Progress on open chemoinformatic tools for drug discovery.



