Next - Generation Computational Drug Discovery

[BeMyLove]

Next - Generation Computational Drug Discovery | 13.52 MB

Title: Next - Generation Computational Drug Discovery
Author: Khan, Mohammad Kalim Ahmad, Tarique, Mohammed
Category: Science, Chemical & Biochemical, Technology, Chemistry, Pharmacology
Language: English | 231 Pages | ISBN: 9781040619421

Description:

This book presents the fundamental principles, contemporary methodologies, and practical applications that define modern computer‑aided drug design. It explores the integration of Cryo‑EM 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‑to‑lead 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 Cryo‑EM, 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.

DOWNLOAD:

https://rapidgator.net/file/47f7a458c124cc5c527c0a24a1a83e43/Next-Generation_Computational_Drug_Discovery.rar

https://clicknupload.click/f214u2f9wmi7/Next-Generation_Computational_Drug_Discovery.rar