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29 Result(s)
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Da**g **a
Chemistry
Biological and Medical Physics, Biophysics
Complex Systems
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Chapter
Introduction
A variety of self-assembly and ordering processes are sustaining life. They are microscopic, mesoscopic, or macroscopic. In this book, we are concerned with the microscopic processes. We raise the following tw...
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Chapter
Molecular Machines
The ATP hydrolysis cycle is utilized in such processes as the unidirectional movement of myosin along F-actin, assistance in protein folding performed by a chaperonin, transport of diverse substrates across th...
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Book
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Chapter
Importance of Translational, Configurational Entropy of Water
We argue that a self-assembly process occurs primarily to increase the system entropy. The water entropy increases whereas the conformational entropy of biomolecules decreases, and the increase is larger than ...
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Chapter
Concluding Remarks: Mechanism of Functional Expression Common in the Molecular Machines
Let us take protein folding as an example. The initial and final states of the folding process are visually different: Protein is in unfolded and folded states, respectively. Therefore, it can readily be under...
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Chapter
Methods for Examining Phase Equilibria
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Chapter
Free Energy Calculations: Approximate Methods for Biological Macromolecules
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Chapter
Calculating Free Energy Differences Using Perturbation Theory
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Chapter
Summary and Outlook
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Chapter
Thermodynamic Integration Using Constrained and Unconstrained Dynamics
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Chapter
Understanding and Improving Free Energy Calculations in Molecular Simulations: Error Analysis and Reduction Methods
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Chapter
Specialized Methods for Improving Ergodic Sampling Using Molecular Dynamics and Monte Carlo Simulations
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Book
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Chapter
Quantum Contributions to Free Energy Changes in Fluids
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Chapter
Introduction
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Chapter
Applications of Free Energy Calculations to Chemistry and Biology
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Chapter
Methods Based on Probability Distributions and Histograms
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Chapter
Nonequilibrium Methods for Equilibrium Free Energy Calculations
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Chapter
Transition Path Sampling and the Calculation of Free Energies
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Chapter
Potential Distribution Methods and Free Energy Models of Molecular Solutions
