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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. 使用全原子分子動(dòng)力學(xué)模擬了霍亂毒素B子單元的結合位點(diǎn)的柔性，并利用FEP(Free Energy Perturbation)的方法計算了單配體與單個(gè)B子單元在水溶液中的結合自由能，在定量上較好的與實(shí)驗結果相符。
- The water stored behind a dam has free energy. 蓄在水閘內的水具有自由能。
- Surface Free Energy and Solid-Liquid Slippage. 界面自由能與滑移。
- 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. 進(jìn)而采用基本測量理論描述硬球分子相互作用，結合WCA微擾理論構建單壁碳納米管內氮氣吸附的自由能密度泛函，根據密度泛函的推導結果編程計算，分析并解析SWNT管內氮吸附行為。
- The free energy increases monotonically with increasing radius. 自由能隨半徑的增大而單調地增加。
- Besides, another reason of the heavy rain may be that the kinetic energy perturbation is released concentrically in South China. 在對大氣低頻擾動(dòng)動(dòng)能的分析中也發(fā)現，華南前汛期降水伴隨著(zhù)低頻擾動(dòng)動(dòng)能在該地區的集中釋放。
- Free energy calculation is a challenge problem in MD. 現在有不少方法。比如熱力學(xué)積分法。
- A free energy level. 未被占據的能量極
- This quantity is positive with respect to the free energy of the bulk condensed phase. 對于主體凝結相的自由能來(lái)說(shuō)，這個(gè)量是正的。
- As the concentration of solvated chains increases with decreasing distance, the free energy of the system increases. 隨著(zhù)距離的減小溶解鏈段的濃度升高,體系的自由能也隨之升高。
- In depicting reaction coordinates it is more customary to plot the free energy on the vertical axis. 在繪畫(huà)反應坐標圖時(shí)，較通行的是把自由能畫(huà)在縱軸上。
- We arrived at the DFT for Lennard-Jones fluid by constructing the excess free energy with MFMT and high-order FMSA. 通過(guò)采用MFMT和高階FMSA展開(kāi)分別表示硬球排斥和色散吸引作用對Helmholtz自由能泛函的貢獻，得到了LJ流體的密度泛函方法。
- By taking use of the limit of entropy density on free energy density,it deduces changing rate of entropy density. 利用熵密度對自由能密度的限制,導得熵密度變化率。
- If so, you may be eligible to receive a free energy saving kit from BC Hydro. Please enter here for details. 假如都是的話(huà)，您可以獲得卑斯水電送出的免費節能包。詳情請進(jìn)卑斯水電的網(wǎng)站。
- This paper proposes a method for domain delineation based on the maximum refolding free energy. 本文通過(guò)計算去折疊自由能來(lái)實(shí)現對蛋白質(zhì)結構域的劃分。
- The deterministic techniques cannot promise the global minimum of Gibbs free energy. 確定性算法通常不能保證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. 就兩股互補的核苷酸分子而言，配對形成一條雙股螺旋時(shí)的自由能會(huì )最低。
- The next stage in the economic shock therapy will be freeing energy prices. 振興經(jīng)濟的下一階段措施將會(huì )是放寬能源價(jià)格限制。
- Reading occupies most of my free time. 閱讀占去了我大部分的閑暇時(shí)間。
- 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數，是熱力學(xué)中一個(gè)重要的參量，常用G表示，它的定義是：
