New Algorithms for Macromolecular Simulation pdf epub mobi txt 電子書 下載2025
- 分子模擬
- 生物分子
- 算法
- 計算生物物理學
- 計算化學
- 統計物理
- 數值方法
- 蛋白質動力學
- 核酸模擬
- 分子動力學
具體描述
Molecular simulation is a widely used tool in biology, chemistry, physics and engineering. This book contains a collection of articles by leading researchers who are developing new methods for molecular modelling and simulation. Topics addressed here include: multiscale formulations for biomolecular modelling, such as quantum-classical methods and advanced solvation techniques; protein folding methods and schemes for sampling complex landscapes; membrane simulations; free energy calculation; and techniques for improving ergodicity. The book is meant to be useful for practitioners in the simulation community and for those new to molecular simulation who require a broad introduction to the state of the art.
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