Computer-aided drug design

By:

Singh, Dev Bukhsh [Editor

Material type: Text

TextPublication details: Singapore: Springer, c2020.ISBN:

9789811568145

Subject(s):

Drugs -- Computer-aided design. Pharmacology. Bioinformatics

DDC classification:

615 SIN-C

Contents:

1 Computational Approaches in Drug Discovery and Design -- 2 Molecular Modeling of Proteins: Methods, Recent Advances and Future Prospects -- 3 Cavity/Binding Site Prediction Approaches, and their Applications -- 4 Role of ADMET Tools in Current Scenario; Application and Limitations -- 5 Database Resources for Drug Discovery -- 6 Molecular Docking and Structure-Based Drug Design -- 7 Molecular Dynamics Simulation of Protein and Protein-Ligand Complexes -- 8 Computational Approaches for Drug Target Identification -- 9 Computational Screening Techniques for Lead Design and Development -- 10 Advances in Pharmacophore Modeling and its Role in Drug Designing -- 11 In Silico Designing of Vaccines: Methods, Tools and Their Limitations -- 12 Machine learning Approaches to Rational Drug Design.

Summary: This book provides up-to-date information on bioinformatics tools for the discovery and development of new drug molecules. It discusses a range of computational applications, including three-dimensional modeling of protein structures, protein-ligand docking, and molecular dynamics simulation of protein-ligand complexes for identifying desirable drug candidates.

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Holdings
Item type	Current library	Home library	Call number	Status	Date due	Barcode
Book	Dept. of Computational Biology and Bioinformatics	Dept. of Computational Biology and Bioinformatics	615 SIN-C (Browse shelf(Opens below))	Checked out to Alan Syed (97022606001)	18/10/2023	DCB4135

1 Computational Approaches in Drug Discovery and Design --
2 Molecular Modeling of Proteins: Methods, Recent Advances and Future Prospects --
3 Cavity/Binding Site Prediction Approaches, and their Applications --
4 Role of ADMET Tools in Current Scenario; Application and Limitations --
5 Database Resources for Drug Discovery --
6 Molecular Docking and Structure-Based Drug Design --
7 Molecular Dynamics Simulation of Protein and Protein-Ligand Complexes --
8 Computational Approaches for Drug Target Identification --
9 Computational Screening Techniques for Lead Design and Development --
10 Advances in Pharmacophore Modeling and its Role in Drug Designing --
11 In Silico Designing of Vaccines: Methods, Tools and Their Limitations --
12 Machine learning Approaches to Rational Drug Design.

This book provides up-to-date information on bioinformatics tools for the discovery and development of new drug molecules. It discusses a range of computational applications, including three-dimensional modeling of protein structures, protein-ligand docking, and molecular dynamics simulation of protein-ligand complexes for identifying desirable drug candidates.

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