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Computational Drug Discovery: Molecular Simulation for Medicinal Chemistry 1 by Pooja A. Chawla, Dilpreet Singh, Kamal Dua, Muralikrishnan Dhanasekaran, Viney Chawla is a nonfiction available to read on EtoBox.

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Cover Half Title Also of interest Computational Drug Discovery: Molecular Simulation for Medicinal Chemistry. Volume 1 Copyright Contents 1. Historical development of computer-aided drug design 1.1 Background 1.2 Traditional drug discovery 1.3 Drug discovery process 1.4 The birth of computer-aided drug design (CADD) 1.4.1 Evolution of computer-aided drug design: milestones through the decades 1.4.1.1 Inception of molecular modeling (1960s) 1.4.1.2 DENDRAL and BIOSTER systems (early 1970s) 1.4.1.3 Quantitative structure–activity relationship (QSAR) (1980s) 1.4.1.4 Molecular dynamics and docking (1990s) 1.4.1.5 Integration of cheminformatics and high-throughput screening (2000s) 1.4.2 Advancements in CADD methodologies 1.4.2.1 Molecular modeling 1.4.2.2 Molecular dynamics 1.4.2.3 Structure-based drug design (SBDD) 1.4.2.4 Homology modeling 1.4.2.5 Ligand-based drug design (LBDD) 1.4.2.6 Virtual screening (VS) 1.4.3 Software and tools for CADD 1.4.4 Challenges and limitations 1.4.4.1 Predictive model accuracy 1.4.4.2 Data quantity and quality 1.4.4.3 Excessive dependence on computational forecasts 1.4.4.4 Time and computational cost 1.4.4.5 Representation of molecular flexibility 1.5

Who reads Computational Drug Discovery: Molecular Simulation for Medicinal Chemistry 1?

Author

Pooja A. Chawla, Dilpreet Singh, Kamal Dua, Muralikrishnan Dhanasekaran, Viney Chawla

Publisher

Saur, K. G., Verlag. ein Imprint der Walter de Gruyter GmbH

Published

2024

Language

EN

ISBN

9783111206691

Category

nonfiction