Structural Bioinformatics, 2ed

Jenny Gu, Philip E. Bourne

ISBN: 9788126574711

1064 pages

Exclusively distributed by Star Educational Books Distributors


INR 3495


The first edition of Structural Bioinformatics was the first major effort to show the application of the principles and basic knowledge of the larger field of bioinformatics to questions focusing on macromolecular structure, such as the prediction of protein structure and how proteins carry out cellular functions, as well as show how the application of bioinformatics to these life science issues can improve health care by accelerating drug discovery and development. Designed primarily as a reference, the first edition nevertheless saw widespread use as a textbook in graduate and undergraduate university courses dealing with the theories and associated algorithms, resources, and tools used in the analysis, prediction, and theoretical underpinnings of DNA, RNA, and proteins.






Section I Data Collection, Analysis, And Visualization.

1 Defining Bioinformatics And Structural Bioinformatics

2 Fundamentals Of Protein Structure

3 Fundamentals Of Dna And Rna Structure  

4 Computational Aspects Of High-Throughput Crystallographic Macromolecular Structure Determination  

5 Macromolecular Structure Determination By Nmr Spectroscopy  

6 Electron Microscopy In The Context Of Structural Systems Biology

7 Study Of Protein Three-Dimensional Structure And Dynamics Using Peptide Amide Hydrogen/ Deuterium Exchange Mass Spectrometry (Dxms) And Chemical Cross-Linking With Mass Spectrometry To Constrain Molecular Modeling

8 Search And Sampling In Structural Bioinformatics

9 Molecular Visualization


Section II Data Representation And Databases.

10 The Pdb Format, Mmcif Formats, And Other Data Formats  

11 The Worldwide Protein Data Bank  

12 The Nucleic Acid Database

13 Other Structure-Based Databases


Section III Data Integrity And Comparative Features.

14 Structural Quality Assurance

15 The Impact Of Local Accuracy In Protein And Rna Structures: Validation As An Active Tool

16 Structure Comparison And Alignment  

17 Protein Structure Evolution And The Scop Database

18 The Cath Domain Structure Database  


Section IV Structural And Functional Assignment.

19 Secondary Structure Assignment

20 Identifying Structural Domains In Proteins

21 Inferring Protein Function From Structure

22 Structural Annotation Of Genomes

23 Evolution Studied Using Protein Structure


Section V Macromolecular Interactions.

24 Electrostatic Interactions

25 Prediction Of Protein--Nucleic Acid Interactions

26 Prediction Of Protein--Protein Interactions From Evolutionary Information

27 Docking Methods, Ligand Design, And Validating Data Sets In The Structural Genomics Era


Section VI Structure Prediction.

28 Casp And Other Community-Wide Assessments To Advance The Field Of Structure Prediction

29 Prediction Of Protein Structure In 1d: Secondary Structure, Membrane Regions, And Solvent ACCESSIBILITY

30 Homology Modeling

31 Fold Recognition Methods

32 De Novo Protein Structure Prediction: Methods And Application

33 Rna Structural Bioinformatics


Section VII Therapeutic Discovery.

34 Structural Bioinformatics In Drug Discovery

35 B-Cell Epitope Prediction


Section VIII Future Challenges.

36 Methods To Classify And Predict The Structure Of Membrane Proteins

37 Protein Motion: Simulation

38 The Significance And Impacts Of Protein Disorder And Conformational Variants

39 Protein Designability And Engineering

40 Structural Genomics Of Protein Superfamilies