Preface |
|
ix | |
|
1 Stochastic Simulation of Chemical Reactions |
|
|
1 | (32) |
|
1.1 Stochastic Simulation of Degradation |
|
|
1 | (7) |
|
1.2 Stochastic Simulation of Production and Degradation |
|
|
8 | (6) |
|
1.3 Higher-Order Chemical Reactions |
|
|
14 | (2) |
|
1.4 Stochastic Simulation of Dimerization |
|
|
16 | (9) |
|
|
25 | (8) |
|
|
29 | (4) |
|
2 Deterministic versus Stochastic Modelling |
|
|
33 | (26) |
|
2.1 Systems with Multiple Favourable States |
|
|
34 | (3) |
|
2.2 Self-Induced Stochastic Resonance |
|
|
37 | (5) |
|
|
42 | (7) |
|
2.4 Designing Stochastic Chemical Systems |
|
|
49 | (10) |
|
|
55 | (4) |
|
3 Stochastic Differential Equations |
|
|
59 | (36) |
|
3.1 A Computational Definition of SDE |
|
|
60 | (2) |
|
|
62 | (4) |
|
3.3 Fokker-Planck Equation |
|
|
66 | (6) |
|
3.4 Boundary Conditions on the Fokker-Planck Equation |
|
|
72 | (3) |
|
3.5 Kolmogorov Backward Equation |
|
|
75 | (1) |
|
3.6 SDEs with Multiple Favourable States |
|
|
76 | (4) |
|
3.7 Chemical Fokker-Planck Equation |
|
|
80 | (5) |
|
3.8 Analysis of Problem from Section 2.1 |
|
|
85 | (3) |
|
3.9 Analysis of Problem from Section 2.2 |
|
|
88 | (7) |
|
|
92 | (3) |
|
|
95 | (42) |
|
4.1 Diffusion Modelled by SDEs |
|
|
96 | (4) |
|
4.2 Compartment-Based Approach to Diffusion |
|
|
100 | (7) |
|
4.3 Diffusion and Velocity-Jump Processes |
|
|
107 | (10) |
|
4.4 Diffusion to Adsorbing Surfaces |
|
|
117 | (8) |
|
4.5 Reactive Boundary Conditions |
|
|
125 | (5) |
|
4.6 Einstein-Smoluchowski Relation |
|
|
130 | (7) |
|
|
133 | (4) |
|
5 Efficient Stochastic Modelling of Chemical Reactions |
|
|
137 | (23) |
|
5.1 A Simple Multiscale Problem |
|
|
139 | (3) |
|
5.2 Multiscale SSA with Partial Equilibrium Assumption |
|
|
142 | (6) |
|
|
148 | (3) |
|
|
151 | (1) |
|
|
152 | (8) |
|
|
157 | (3) |
|
6 Stochastic Reaction-Diffusion Models |
|
|
160 | (32) |
|
6.1 A Compartment-Based Reaction-Diffusion Algorithm |
|
|
161 | (3) |
|
6.2 A Reaction-Diffusion SSA Based on the SDE Model of Diffusion |
|
|
164 | (2) |
|
6.3 Compartment-Based SSA for Higher-Order Reactions |
|
|
166 | (3) |
|
6.4 A Choice of Compartment Size h |
|
|
169 | (5) |
|
6.5 Molecular-Based Approaches for Second-Order Reactions |
|
|
174 | (3) |
|
6.6 Reaction Radius and Reaction Probability |
|
|
177 | (6) |
|
6.7 Modelling Reversible Reactions |
|
|
183 | (3) |
|
6.8 Biological Pattern Formation |
|
|
186 | (6) |
|
|
190 | (2) |
|
7 SSAs for Reaction-Diffusion-Advection Processes |
|
|
192 | (34) |
|
7.1 SSAs for Diffusion-Advection Processes |
|
|
193 | (3) |
|
7.2 Reaction-Diffusion-Advection SSAs |
|
|
196 | (3) |
|
|
199 | (7) |
|
7.4 Collective Behaviour of Locusts |
|
|
206 | (5) |
|
7.5 Ions and Ion Channels |
|
|
211 | (5) |
|
7.6 Metropolis-Hastings Algorithm |
|
|
216 | (10) |
|
|
222 | (4) |
|
8 Microscopic Models of Brownian Motion |
|
|
226 | (42) |
|
8.1 One-Particle Solvent Model |
|
|
227 | (6) |
|
8.2 Generalized Langevin Equation |
|
|
233 | (9) |
|
8.3 Solvent as Harmonic Oscillators |
|
|
242 | (4) |
|
8.4 Solvent as Points Colliding with the Diffusing Particle |
|
|
246 | (6) |
|
8.5 Forces Between Atoms and Molecules |
|
|
252 | (5) |
|
|
257 | (11) |
|
|
265 | (3) |
|
9 Multiscale and Multi-Resolution Methods |
|
|
268 | (25) |
|
9.1 Coupling SDE-Based and Compartment-Based Models |
|
|
270 | (8) |
|
9.2 Coupling Molecular Dynamics with Langevin Dynamics |
|
|
278 | (7) |
|
9.3 Multi-Resolution Molecular and Brownian Dynamics |
|
|
285 | (8) |
|
|
289 | (4) |
|
|
293 | (4) |
|
Appendix A Deterministic Modelling of Chemical Reactions |
|
|
293 | (2) |
|
Appendix B Discrete Probability Distributions |
|
|
295 | (1) |
|
Appendix C Continuous Probability Distributions |
|
|
296 | (1) |
References |
|
297 | (8) |
Index |
|
305 | |