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	A comparative study of trypsin specificity based on QM/MM molecular dynamics simulation and QM/MM GBSA calculation 期刊论文 OAI收割 JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2015, 卷号: 33, 期号: 12, 页码: 2606-2618 作者: Chen, Jianzhong; Wang, Jinan; Zhang, Qinggang; Chen, Kaixian; Zhu, Weiliang \| 收藏 \| 浏览/下载：31/0 \| 提交时间：2019/01/08 QM MM molecular dynamics simulations MM-GBSA method trypsin specificity semi-empirical Hamiltonian binding free energies
	State Sampling Dependence of Hopfield Network Inference 期刊论文 OAI收割 COMMUNICATIONS IN THEORETICAL PHYSICS, 2012, 卷号: 57, 期号: 1, 页码: 169-172 Huang, HP 收藏 \| 浏览/下载：33/0 \| 提交时间：2014/04/25 NEURAL NETWORKS FREE-ENERGIES MODEL POPULATION SYSTEM
	Solution-Phase Electronegativity Scale: Insight into the Chemical Behaviors of Metal Ions in Solution 期刊论文 OAI收割 journal of physical chemistry a, 2012, 卷号: 116, 期号: 16, 页码: 4192-4198 Li KY; Li M; Xue DF 收藏 \| 浏览/下载：30/0 \| 提交时间：2013/05/22 FREE-ENERGIES AQUEOUS-SOLUTION GAS-PHASE HYDROLYSIS SOLVENT MODEL CONSTANTS HYDRATION ELEMENTS HARDNESS
	Solvent size effect on the static and dynamic properties of polymer chains in athermal solvents 期刊论文 OAI收割 polymer, 2009, 卷号: 50, 期号: 21, 页码: 5142-5148 Fu CL; Ouyang WZ; Sun ZY; An LJ; Li HF; Tong Z 收藏 \| 浏览/下载：15/0 \| 提交时间：2010/05/04 TRANSFER FREE-ENERGIES DEPENDENCE SIMULATION MIXTURES ELECTRON LAYER
	Substitution effect of nitrogen atoms with carbon atoms in porphyrin on the electronic structure and excited states properties 期刊论文 OAI收割 journal of molecular structure-theochem, 2006, 卷号: 765, 期号: 1-3, 页码: 61-69 Liu XJ; Pan QH; Meng J; Feng JK 收藏 \| 浏览/下载：24/0 \| 提交时间：2010/08/17 DENSITY-FUNCTIONAL THEORY FREE-BASE PORPHYRIN EXCITATION-ENERGIES ABSORPTION-SPECTRA FORCE-FIELD PORPHIN APPROXIMATION