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浏览/检索结果: 共9条，第1-9条 帮助 限定条件 发表日期：2002    专题：北京大学    第一署名单位    第一作者单位    通讯作者单位     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 Photophysical studies on the mono- and dichromophoric hemicyanine dyes I. Photoelectric conversion from the dye modified ITO electrodes 期刊论文 journal of physical chemistry b, 2002 Huang, YY; Cheng, TR; Li, FY; Huang, CH; Hou, TJ; Yu, AC; Zhao, XS; Xu, XJ 收藏  |  浏览/下载：3/0  |  提交时间：2015/11/12 LANGMUIR-BLODGETT-FILMS  INTRAMOLECULAR CHARGE-TRANSFER  2ND HARMONIC-GENERATION  2ND-HARMONIC GENERATION  OPTICAL NONLINEARITIES  MOLECULAR-ORIENTATION  MONOLAYERS  FLUORESCENCE  AGGREGATION  BEHAVIOR   ADME evaluation in drug discovery - 1. Applications of genetic algorithms to the prediction of blood-brain partitioning of a large set of drugs 期刊论文 journal of molecular modeling, 2002 Hou, TJ; Xu, XJ 收藏  |  浏览/下载：2/0  |  提交时间：2015/11/14 blood-brain partitioning  ADME  genetic algorithm  QSPR  ATOMIC PHYSICOCHEMICAL PARAMETERS  VARIABLE SELECTION  ORGANIC SOLUTES  QSAR  PENETRATION  BARRIER  COMBINATION  SIMULATIONS  DESCRIPTORS  INHIBITORS   Simulation of the phase behavior of the (EO)(13)(PO)(30)(EO)(13)(Pluronic L64)/water/p-xylene system using MesoDyn 期刊论文 journal of physical chemistry b, 2002 Guo, SL; Hou, TJ; Xu, XJ 收藏  |  浏览/下载：2/0  |  提交时间：2015/11/16 OXIDE) POLY(PROPYLENE OXIDE)  REVERSE MICELLE FORMATION  BLOCK-COPOLYMERS  TRIBLOCK-COPOLYMER  WATER SOLUBILIZATION  MESOSCOPIC DYNAMICS  SELECTIVE SOLVENTS  AQUEOUS-SOLUTION  ORGANIC-SOLVENT  MELTS   Predictions of binding of a diverse set of ligands to gelatinase-A by a combination of molecular dynamics and continuum solvent models 期刊论文 journal of physical chemistry b, 2002 Hou, TJ; Guo, SL; Xu, XJ 收藏  |  浏览/下载：7/0  |  提交时间：2015/11/16 FREE-ENERGY CALCULATIONS  SELECTIVE INHIBITORS  GENETIC ALGORITHMS  LINEAR-RESPONSE  DRUG DESIGN  FORCE-FIELD  MATRIX  AFFINITIES  SIMULATIONS  COMPLEXES   Affinitive separation and on-line identification of antitumor components from Peganum nigellastrum by coupling a chromatographic column of target analogue imprinted polymer with mass spectrometry 期刊论文 analytical chemistry, 2002 Xie, JC; Zhu, LL; Xu, XJ 收藏  |  浏览/下载：3/0  |  提交时间：2015/11/14 SOLID-PHASE EXTRACTION  CHIRAL STATIONARY PHASES  DIRECT ENANTIOSEPARATION  ADRENERGIC-DRUGS  NONCOVALENT  RECOGNITION  RESOLUTION  PRECONCENTRATION  ENRICHMENT  NICOTINE   Molecular docking studies of a group of hydroxamate inhibitors with gelatinase-A by molecular dynamics 期刊论文 计算机辅助分子设计杂志, 2002 Hou, TJ; Zhang, W; Xu, XJ 收藏  |  浏览/下载：5/0  |  提交时间：2015/11/11 gelatinase-A  MMP-2  hydroxamate  molecular dynamics  molecular docking  HUMAN MATRIX METALLOPROTEINASE  HUMAN FIBROBLAST COLLAGENASE  AUTOMATED DOCKING  FORCE-FIELD  DESIGN  IDENTIFICATION  SERRALYSINS  SIMULATIONS  METZINCINS  METASTASIS   Protein molecular dynamics with electrostatic force entirely determined by a single Poisson-Boltzmann calculation 期刊论文 proteins structure function and genetics, 2002 Lu, BZ; Chen, WZ; Wang, CX; Xu, XJ 收藏  |  浏览/下载：3/0  |  提交时间：2015/11/11 protein dielectric constant  solvent effect  finite difference stochastic dynamics  insulin dimer  SIMULATIONS  CONTINUUM  HYDRATION  SOLVATION  SOLVENT  MODELS  ION  STABILITY  ENERGY   Empirical aqueous solvation models based on accessible surface areas with implicit electrostatics 期刊论文 journal of physical chemistry b, 2002 Hou, TJ; Qiao, XB; Zhang, W; Xu, XJ 收藏  |  浏览/下载：5/0  |  提交时间：2015/11/11 GROWTH-FACTOR RECEPTOR  TYROSINE KINASE INHIBITORS  FREE-ENERGIES  GENETIC ALGORITHM  ORGANIC-MOLECULES  AUTOMATED DOCKING  FORCE-FIELD  PROTEINS  PEPTIDES  SOLVENT   Salt and pH-dependent properties of native and mutant insulin 期刊论文 科学通报 英文版, 2002 Ma, XH; Li, CH; Lu, BZ; Chen, WZ; Wang, CX; Xu, XJ 收藏  |  浏览/下载：2/0  |  提交时间：2015/11/11 formal charge  electrostatic interaction  insulin  Poisson-Boltzmann equation  PROTEINS  SOLVENT