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Dhiman Ray1, Michele Parrinello1
1Atomistic Simulations, Italian Institute of Technology, Via Enrico Melen 83, 16152 Genova, Italy.
超动力学模拟现在可以计算罕见事件的动力学. 本综述涵盖了用于分子动力学模拟的增强采样以确定速率常数的方法,应用和挑战.
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