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- FEP method presents good consistency with the experimental result in computing the binding free energy of single GM1 ganglioside to B subunit. 3. 使用全原子分子动力学模拟了霍乱毒素B子单元的结合位点的柔性，并利用FEP(Free Energy Perturbation)的方法计算了单配体与单个B子单元在水溶液中的结合自由能，在定量上较好的与实验结果相符。
- The water stored behind a dam has free energy. 蓄在水闸内的水具有自由能。
- Surface Free Energy and Solid-Liquid Slippage. 界面自由能与滑移。
- WCA soft attractive perturbation is used to build the free energy density function about the nitrogen adsorption.Thus the nitrogen adsorption behavior in interior of SWNT is calculated by DFT. 进而采用基本测量理论描述硬球分子相互作用，结合WCA微扰理论构建单壁碳纳米管内氮气吸附的自由能密度泛函，根据密度泛函的推导结果编程计算，分析并解析SWNT管内氮吸附行为。
- The free energy increases monotonically with increasing radius. 自由能随半径的增大而单调地增加。
- Besides, another reason of the heavy rain may be that the kinetic energy perturbation is released concentrically in South China. 在对大气低频扰动动能的分析中也发现，华南前汛期降水伴随着低频扰动动能在该地区的集中释放。
- Free energy calculation is a challenge problem in MD. 现在有不少方法。比如热力学积分法。
- A free energy level. 未被占据的能量极
- This quantity is positive with respect to the free energy of the bulk condensed phase. 对于主体凝结相的自由能来说，这个量是正的。
- As the concentration of solvated chains increases with decreasing distance, the free energy of the system increases. 随着距离的减小溶解链段的浓度升高,体系的自由能也随之升高。
- In depicting reaction coordinates it is more customary to plot the free energy on the vertical axis. 在绘画反应坐标图时，较通行的是把自由能画在纵轴上。
- We arrived at the DFT for Lennard-Jones fluid by constructing the excess free energy with MFMT and high-order FMSA. 通过采用MFMT和高阶FMSA展开分别表示硬球排斥和色散吸引作用对Helmholtz自由能泛函的贡献，得到了LJ流体的密度泛函方法。
- By taking use of the limit of entropy density on free energy density,it deduces changing rate of entropy density. 利用熵密度对自由能密度的限制,导得熵密度变化率。
- If so, you may be eligible to receive a free energy saving kit from BC Hydro. Please enter here for details. 假如都是的话，您可以获得卑斯水电送出的免费节能包。详情请进卑斯水电的网站。
- This paper proposes a method for domain delineation based on the maximum refolding free energy. 本文通过计算去折叠自由能来实现对蛋白质结构域的划分。
- The deterministic techniques cannot promise the global minimum of Gibbs free energy. 确定性算法通常不能保证得到吉布斯自由能最小值;
- For two complementary strands of nucleotides, the free energy is minimized when they pair up to form a double helix. 就两股互补的核苷酸分子而言，配对形成一条双股螺旋时的自由能会最低。
- The next stage in the economic shock therapy will be freeing energy prices. 振兴经济的下一阶段措施将会是放宽能源价格限制。
- Reading occupies most of my free time. 阅读占去了我大部分的闲暇时间。
- Changes of enthalpy and entropy affect the value of a reaction's Gibbs free energy. 吉布斯自由能又叫吉布斯函数，是热力学中一个重要的参量，常用G表示，它的定义是：
