Introduction to Structural Bioinformatics
- 1st Edition - May 1, 2026
- Latest edition
- Author: Yang Zhang
- Language: English
Introduction to Structural Bioinformatics offers a complete overview to the fundamental concepts and methodologies of structural bioinformatics and computational structural biolog… Read more
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Introduction to Structural Bioinformatics offers a complete overview to the fundamental concepts and methodologies of structural bioinformatics and computational structural biology. The book is divided into three sections, beginning with a discussion of the key principles of bioinformatics and fundamental aspects including bioinformatics databases, multiple sequence alignment and machine learning. Section two then moves on to structural bioinformatics, where topics include Monte Carlo simulation, protein structure prediction, RNA structure prediction, and protein design. The final section of the book focuses on experimental structural determination, where chapters focus on techniques including X-ray crystallography, nuclear magnetic resonance and cryo-electron microscopy. This is an ideal guide to the key principles, methods and most up-to-date developments across structural bioinformatics and computational structural biology, providing a comprehensive reference for postgraduate students, instructors and researchers working in these and adjacent subjects.
- Discusses cutting-edge AI and deep-learning techniques, including AlphaFold and D-I-TASSER, and their impact on structural bioinformatics
- Explores protein and RNA structure prediction
- Considers the most recent advances in the field as well as more classical physics-based approaches
- Features chapter outlines, definitions, key learning objectives, and case studies throughout the book to aid comprehension
Researchers, postgraduate and PhD students, and instructors across structural bioinformatics, structural biology, computational biology and related fields
Part 1: Bioinformatics Basics
1. Bioinformatics databases
2. Pairwise sequence alignments and database search
3. Evolution and phylogenetic tree
4. Multiple sequence alignments
5. Machine learning and deep neural-network learning
Part 2: Structural Bioinformatics
6. Protein structure alignments
7. Monte Carlo simulation and local energy minimization
8. Protein structure prediction
9. RNA structure prediction
10. Quaternary structure prediction
11. Function annotations
12. Protein design
Part 3: Experimental Structural Determination
13. Principle of X-ray crystallography and molecular replacement
14. Introduction to nuclear magnetic resonance
15. Cryo-electron microscopy for protein structure determination
1. Bioinformatics databases
2. Pairwise sequence alignments and database search
3. Evolution and phylogenetic tree
4. Multiple sequence alignments
5. Machine learning and deep neural-network learning
Part 2: Structural Bioinformatics
6. Protein structure alignments
7. Monte Carlo simulation and local energy minimization
8. Protein structure prediction
9. RNA structure prediction
10. Quaternary structure prediction
11. Function annotations
12. Protein design
Part 3: Experimental Structural Determination
13. Principle of X-ray crystallography and molecular replacement
14. Introduction to nuclear magnetic resonance
15. Cryo-electron microscopy for protein structure determination
- Edition: 1
- Latest edition
- Published: May 1, 2026
- Language: English
YZ
Yang Zhang
Dr Yang Zhang is Professor in the Department of Computer Science, School of Computing, National University of Singapore (NUS). He also serves as Professor and Senior Principal Investigator in the Department of Biochemistry at School of Medicine, NUS, and Cancer Science Institute of Singapore, respectively. Prior to this, Dr Zhang worked as Professor in the Department of Computational Medicine and Bioinformatics and the Department of Biological Chemistry, University of Michigan. Dr Zhang has been teaching graduate courses in bioinformatics for more than a decade. His research interests are in artificial intelligence, deep neural network learning, protein folding, structure prediction, and protein design and engineering. Dr. Zhang is the inventor of many fundamental concepts and methods in structural bioinformatics, including TM-score, TM-align, I-TASSER, and QUARK. Dr. Zhang has received honours including the Alfred P Sloan Award, US NSF Career Award, ASBMB DeLano Award, and University of Michigan Basic Science Research Award.
Affiliations and expertise
Department of Computer Science, School of Computing, National University of Singapore, Singapore