Buch, Englisch, 416 Seiten, Format (B × H): 218 mm x 273 mm, Gewicht: 1211 g
Buch, Englisch, 416 Seiten, Format (B × H): 218 mm x 273 mm, Gewicht: 1211 g
ISBN: 978-1-394-42922-6
Verlag: Wiley
From quantum mechanics to drug discovery in one semester
Molecular biophysics and structural biology are founded on physics, chemistry, and biology, yet few textbooks integrate these disciplines within a coherent single-semester framework. Introduction to Biophysics and Structural Biology provides a structured progression from foundational principles through to biological function and real-world applications including renewable energy and drug and vaccine design, equipping readers from diverse scientific backgrounds to work at the molecular level.
Readers will find: - The major experimental techniques for determining biological structures, including X-ray crystallography, cryo-EM and NMR
- An explanation of artificial intelligence tools and their applications
- Basics of quantum mechanics, statistical mechanics and thermodynamics
- Molecular dynamics simulation
- Modern concepts of protein function and folding
- The dynamical picture of ligand binding, allostery, intrinsically disordered proteins and biomolecular condensates
- Membrane processes, such as G-protein coupled receptors, ion channels, and light-driven proteins
- Large biological complexes, such as the ribosome, ATP synthase and spliceosome
- Bioenergy and biomaterials
- Drug discovery, including real-world case studies connecting molecular-level principles to active research in cancer therapeutics and infectious disease drug development
- Problem sets for each chapter
Designed for a wide range of students – including from biology, biochemistry, molecular biology, medicine, pharmacy, chemistry, physics and biotechnology – taking a one-semester course, this textbook builds interdisciplinary competence from the ground up. While avoiding complex mathematics, the book concentrates on chemical and physical principles describing the detailed molecular machinery of life. Lecturers will find a logical chapter sequence that moves from theory to technique to application, supporting both classroom instruction and independent study.
Autoren/Hrsg.
Fachgebiete
Weitere Infos & Material
AI Disclaimer ix
Introduction 1
Section A Structure 3
1 X-Ray Crystallography 5
1.1 Electromagnetic Radiation 5
1.2 Diffraction 5
1.3 The DNA Double Helix 10
1.4 Solving Protein Structures 15
1.5 Mathematical Interlude: Describing Waves Using Complex Numbers 18
1.6 The Phase Problem 21
1.7 Problem Set 26
2 Nuclear Magnetic Resonance 31
2.1 The NMR Phenomenon 31
2.2 Chemical Shift 33
2.3 J Coupling 34
2.4 Nuclear Overhauser Effect and 2D NMR 37
2.5 Problem Set 39
3 Cryo-Electron Microscopy 43
3.1 Bacteriorhodopsin 43
3.2 Radiation Damage 46
3.3 Direct Electron Detectors and Vitrification 47
3.4 Computational Algorithms 49
3.5 Example–A Bacterial Efflux Pump 50
3.6 Problem Set 52
4 Protein Folding 55
4.1 Anfinsen's Experiments 55
4.2 Free Energy, Enthalpy, and Entropy 57
4.3 Protein Folding Thermodynamics 60
4.4 Hydrophobic Effect 63
4.5 Levinthal Paradox and Folding Funnels 64
4.6 Evidence for the Folding Funnel Model 66
4.7 Problem Set 74
5 Artificial Intelligence 79
5.1 Supervised and Unsupervised Learning 79
5.2 Data 80
5.3 Features 83
5.4 Classical ML Models 83
5.5 Deep Learning 85
5.6 Training the Model 88
5.7 ML Example–T Cell Receptor Specificity 89
5.8 Bayesian AI 92
5.9 Alpha Fold! 95
5.10 Problem Set 98
Section B Dynamics 103
6 Molecular Forces 105
6.1 Quantum Mechanics 105
6.2 Molecular Mechanics Force Field 108
6.3 Problem Set 117
7 Vibrations and Conformational Transitions 121
7.1 Taylor Expansion 121
7.2 Absorption Spectroscopy 122
7.3 Infrared Spectroscopy 123
7.4 Low-Frequency Vibrations 124
7.5 Anharmonicity and Conformational Transitions 125
7.6 Problem Set 128
8 Molecular Dynamics Simulation 131
8.1 MD Trajectories 131
8.2 Interpretation of MD 134
8.3 Conformational Substates and Energy Landscapes 140
8.4 Problem Set 142
9 Experiments on Dynamics 147
9.1 NMR 147
9.2 Dynamic Neutron Scattering 150
9.3 Fluorescence Spectroscopy 153
9.4 Problem Set 160
10 Ligand Binding 165
10.1 Ligand Binding Thermodynamics and Kinetics 165
10.2 What Makes a Ligand Bind 170
10.3 Solvation 176
10.4 Kinetics 180
10.5 Problem Set 182
11 Allostery 187
11.1 Hemoglobin 187
11.2 Ras and the Ensemble Model 194
11.3 G-Protein–Coupled Receptors 198
11.4 Problem Set 204
12 Intrinsically Disordered Proteins 209
12.1 Solution Scattering 209
12.2 Liquid–Liquid Phase Separation and Biological Condensates 214
12.3 Conclusion 217
12.4 Problem Set 218
Section C Function 223
13 Enzyme Catalysis 225
13.1 Chymotrypsin 225
13.2 Protonation States: Motions of Protons 231
13.3 Problem Set 236
14 Biological Membranes 241
14.1 Phases and Domains 242
14.2 Channels 249
14.3 Problem Set 254
15 Light-Driven Proteins 259
15.1 Photosynthesis 259
15.2 Retinal Proteins 271
15.3 Vision 274
15.4 Problem Set 277
16 Biological Complexes and the Machinery of Life 283
16.1 The Ribosome 284
16.2 ATP Synthase 291
16.3 Nuclear Pore Complex 294
16.4 Spliceosome 298
16.5 Problem Set 301
Section D Society 305
17 The Environment 307
17.1 Mercury 307
17.2 What Methylates Mercury in the Environment? 311
17.3 How Do Bacteria Methylate Mercury? 312
17.4 Circular Bioeconomy 315
17.5 Bioenergy 316
17.6 Biobased Materials 332
17.7 Synthetic Biology and de Novo Protein Design 338
17.8 Problem Sets 349
18 Health 355
18.1 Drug Discovery: The Overall Process 355
18.2 Why Do Drugs Fail? 357
18.3 Structure-Based Drug Discovery 357
18.4 Lead Optimization 369
18.5 COVID-19 373
18.6 Modulating Interactions Between Macromolecules 378
18.7 Drug Discovery–The Future 381
18.8 Designing Vaccines 383
18.9 Problem Sets 392
19 Some Closing Thoughts 397
Index 399
