Hummer G, Szabo A
Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, MD 20892-0520, USA.
Proc Natl Acad Sci U S A. 2001 Mar 27;98(7):3658-61. doi: 10.1073/pnas.071034098.
Laser tweezers and atomic force microscopes are increasingly used to probe the interactions and mechanical properties of individual molecules. Unfortunately, using such time-dependent perturbations to force rare molecular events also drives the system away from equilibrium. Nevertheless, we show how equilibrium free energy profiles can be extracted rigorously from repeated nonequilibrium force measurements on the basis of an extension of Jarzynski's remarkable identity between free energies and the irreversible work.
激光镊子和原子力显微镜越来越多地用于探测单个分子的相互作用和力学性质。不幸的是，使用这种随时间变化的微扰来迫使罕见的分子事件发生，也会使系统偏离平衡态。尽管如此，我们展示了如何基于雅尔津斯基关于自由能与不可逆功之间的卓越恒等式的扩展，从重复的非平衡力测量中严格提取平衡自由能分布。
