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浏览/检索结果: 共4条，第1-4条 帮助 限定条件 发表日期：2015     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Folding Thermodynamics and Mechanism of Five Trp-Cage Variants from Replica-Exchange MD Simulations with RSFF2 Force Field 期刊论文 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2015 Zhou, Chen-Yang; Jiang, Fan; Wu, Yun-Dong 收藏  |  浏览/下载：4/0  |  提交时间：2017/12/03 MOLECULAR-DYNAMICS SIMULATIONS  FREE-ENERGY LANDSCAPE  EXPLICIT SOLVENT  UNFOLDED STATE  MINI-PROTEIN  MINIPROTEIN  WATER  INTERMEDIATE  RESOLUTION  PEPTIDES   From Thermodynamics to Kinetics: Enhanced Sampling of Rare Events 期刊论文 ACCOUNTS OF CHEMICAL RESEARCH, 2015 Yang, Lijiang; Liu, Cheng-Wen; Shao, Qiang; Zhang, Jun; Gao, Yi Qin 收藏  |  浏览/下载：5/0  |  提交时间：2017/12/03 ACCELERATED MOLECULAR-DYNAMICS  HYBRID DENSITY FUNCTIONALS  ION MOBILITY SPECTROMETRY  HELIX BUNDLE PROTEINS  BETA-HAIRPIN PEPTIDE  DISPERSION CORRECTIONS  POTENTIAL-ENERGY  REPLICA-EXCHANGE  COMPLEX-SYSTEMS  WATER CLUSTERS   The Universal Statistical Distributions of the Affinity, Equilibrium Constants, Kinetics and Specificity in Biomolecular Recognition 期刊论文 plos computational biology, 2015, 卷号: 11, 期号: 4, 页码: 5493-5497 作者:  Zheng,Xiliang;  Wang,Jin 收藏  |  浏览/下载：21/0  |  提交时间：2016/05/12 SINGLE-MOLECULE DYNAMICS  RANDOM-ENERGY-MODEL  PROTEIN-FOLDING FUNNELS  3-HELIX BUNDLE PROTEIN  DRUG DISCOVERY  COMBINATORIAL TECHNOLOGIES  ENZYMATIC DYNAMICS  INTERFACE BINDING  LANDSCAPE MODEL  LIGAND-BINDING   Preparation, Characterization of Ambroxol Hydrochloride Resinates and Investigation of the Kinetics and Thermodynamics of the Ion Exchange Process 期刊论文 LATIN AMERICAN JOURNAL OF PHARMACY, 2015, 卷号: 34, 期号: 1, 页码: 21-29 作者:  Liu, Hongfei[1];  Ding, Hui[2];  Liu, Dan[3];  Pan, Weisan[4];  Feng, Yingshu[5] 收藏  |  浏览/下载：5/0  |  提交时间：2019/12/24 Ambroxol hydrochloride  Characterization  Ion exchange resin  In vitro drug resin  Kinetics  Thermodynamics