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Molecular Engineering: An Interdisciplinary Journal Devoted to the Design, Characterization, and Application of Molecules and Molecular Materials Endowed with Specific Biological, Chemical, and Physical Properties

中文名称：分子工程：专门研究具有特定生物，化学和物理性质的分子和分子材料的设计，表征和应用的跨学科期刊

ISSN：0925-5125
出版周期：-

发文量：29

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1995
- 第3期
- 第4期

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1.Dynamic Domains: A Simple Method of Analysing Structural Movements in Proteins

机译：动态域：一种分析蛋白质结构运动的简单方法
- 作者：KRYSTYNA ZAKRZEWSKA
- 期刊名称：《Molecular Engineering: An Interdisciplinary Journal Devoted to the Design, Characterization, and Application of Molecules and Molecular Materials Endowed with Specific Biological, Chemical, and Physical Properties》 | 1995年第3期
- Enzymes;
- transition pathways;
- conformational analysis;
- protein domains;
2.Calculation of Atom-Centered Partial Charges for Heme

机译：血红素以原子为中心的部分电荷的计算
- 作者：JOHN I. MANCHESTER;MARK D. PAULSEN;RICK L ORNSTEIN
- 期刊名称：《Molecular Engineering: An Interdisciplinary Journal Devoted to the Design, Characterization, and Application of Molecules and Molecular Materials Endowed with Specific Biological, Chemical, and Physical Properties》 | 1995年第3期
- Cytochrome P450;
- forcefield;
- iron;
- porphyrin;
- potential-derived charges;
3.A Computer Simulation Study of the Relation between Lipid and Probe Behaviour in Bilayer Systems

机译：双层系统中脂质与探针行为之间关系的计算机模拟研究
- 作者：HADASS EVIATAR;UULKE A. VAN DER HEIDE;YEHUDI K. LEV1NE
- 期刊名称：《Molecular Engineering: An Interdisciplinary Journal Devoted to the Design, Characterization, and Application of Molecules and Molecular Materials Endowed with Specific Biological, Chemical, and Physical Properties》 | 1995年第3期
- Lipiol bilayer;
- computer simulation;
- Monte Carlo method;
- membrane dynamics;
4.Molecular Modeling Studies on the Ribosome

机译：核糖体的分子建模研究
- 作者：STEPHEN C. HARVEY;ARUN MALHOTRA;ROBERT K.-Z. TAN
- 期刊名称：《Molecular Engineering: An Interdisciplinary Journal Devoted to the Design, Characterization, and Application of Molecules and Molecular Materials Endowed with Specific Biological, Chemical, and Physical Properties》 | 1995年第3期
- Ribosome;
- molecular mechanics;
- structure refinement;
5.The Relationship between Physical Property and Function of Highly Activated Mutants of Thermolysin

机译：嗜热菌素高活化突变体的物理性质与功能的关系
- 作者：SHUN-ICHI KIDOKORO;YOICHIRO MIKI;KIMIKO ENDO;AKIYOSHI WADA
- 期刊名称：《Molecular Engineering: An Interdisciplinary Journal Devoted to the Design, Characterization, and Application of Molecules and Molecular Materials Endowed with Specific Biological, Chemical, and Physical Properties》 | 1995年第3期
- Protein engineering;
- thermolysin;
- activity;
- stability;
6.Binding Sites of Acetylcholine in the Aromatic Gorge Leading to the Active Site of Acetylcholinesterase

机译：乙酰胆碱中乙酰胆碱的结合位点导致乙酰胆碱酯酶的活性位点
- 作者：ALBERTE PULLMAN
- 期刊名称：《Molecular Engineering: An Interdisciplinary Journal Devoted to the Design, Characterization, and Application of Molecules and Molecular Materials Endowed with Specific Biological, Chemical, and Physical Properties》 | 1995年第3期
- Acetytcholine;
- binding site;
- acetylcholinestesrase;
- molecular modelling;
7.Photochromic and Thermochromic Anils

机译：光致变色和热致变色指甲
- 作者：EUGENE HADJOUDES
- 期刊名称：《Molecular Engineering: An Interdisciplinary Journal Devoted to the Design, Characterization, and Application of Molecules and Molecular Materials Endowed with Specific Biological, Chemical, and Physical Properties》 | 1995年第4期
- Anils;
- photochromism;
- salicylaldehyde;
- thermochromism;
8.Construction of a DNA Four-Way Junction: Design and NMR Spectroscopy

机译：DNA四向结的构建：设计和NMR光谱
- 作者：CORNELIS ALTONA;JEROEN A. PIKKEMAAT
- 期刊名称：《Molecular Engineering: An Interdisciplinary Journal Devoted to the Design, Characterization, and Application of Molecules and Molecular Materials Endowed with Specific Biological, Chemical, and Physical Properties》 | 1995年第3期
- DNA four-way junction;
- 'H-NMR Spectroscopy;
- conformational analysis;
- hairpin loops;
9.Calculation of Static Hyperpolarisabilities of Donor-Acceptor Systems Using a Desktop Molecular Modelling Package

机译：使用桌面分子建模包计算供体-受体系统的静态超极化性。
- 作者：R. G. HOWARD;A. P. DAVEY;W. BLAU
- 期刊名称：《Molecular Engineering: An Interdisciplinary Journal Devoted to the Design, Characterization, and Application of Molecules and Molecular Materials Endowed with Specific Biological, Chemical, and Physical Properties》 | 1995年第4期
- HyperpolarisabilUy;
- two-slate model;
- semi-empirical SCF-MO methods;
- desktop molecular;
- modelling package;
- donor-acceptor systems;
10.A Model of HIV-I Reverse Transcriptase: Possible Mechanisms for AZT Resistance

机译：HIV-I逆转录酶模型：AZT抗性的可能机制。
- 作者：ROBERT F. SETLIK;MASAYUKI SHIBATA;RICK L. ORNSTEIN;ROBERT REIN
- 期刊名称：《Molecular Engineering: An Interdisciplinary Journal Devoted to the Design, Characterization, and Application of Molecules and Molecular Materials Endowed with Specific Biological, Chemical, and Physical Properties》 | 1995年第3期
- HIV-I reverse transcriptase;
- AZT-resistance mutations;
- AZT resistance;
- AIDS;
11.Reaction Field Method for the Molecular Orientation Potential in an Anisotropic Medium

机译：各向异性介质中分子取向势的反应场方法
- 作者：SHIGERU ISHIKAWA;NAOYUKI KOIDE
- 期刊名称：《Molecular Engineering: An Interdisciplinary Journal Devoted to the Design, Characterization, and Application of Molecules and Molecular Materials Endowed with Specific Biological, Chemical, and Physical Properties》 | 1995年第4期
- Reaction field;
- molecular orientation;
- liquid crystal;
- dielectric anisotropy;
12.Molecular Similarity and Dissimilarity

机译：分子相似性和相异性
- 作者：W. GRAHAM RICHARDS
- 期刊名称：《Molecular Engineering: An Interdisciplinary Journal Devoted to the Design, Characterization, and Application of Molecules and Molecular Materials Endowed with Specific Biological, Chemical, and Physical Properties》 | 1995年第3期
- Molecular similarity;
- mimetics;
- neural networks;
- eudismic ratios;
13.Quantum-Chemical Structure-Activity Relationships in Carbamate Insecticides

机译：氨基甲酸酯类杀虫剂中的量子化学结构-活性关系
- 作者：JUAN S. GOMEZ-JERIA;MARIO OJEDA-VERGARA;CARLOS DONOSO-ESPINOZA
- 期刊名称：《Molecular Engineering: An Interdisciplinary Journal Devoted to the Design, Characterization, and Application of Molecules and Molecular Materials Endowed with Specific Biological, Chemical, and Physical Properties》 | 1995年第4期
14.Molecular Dynamics Study of the Dissociation of an Antigen-Antibody Complex in Solution

机译：抗原-抗体复合物在溶液中解离的分子动力学研究
- 作者：JEAN DURUP;FABIENNE ALARY
- 期刊名称：《Molecular Engineering: An Interdisciplinary Journal Devoted to the Design, Characterization, and Application of Molecules and Molecular Materials Endowed with Specific Biological, Chemical, and Physical Properties》 | 1995年第3期
- Free energy;
- antigen-antibody complex;
- hydration forces;
- dissociation;
- molecular dynamics;
15.Molecular Dynamics Simulations of DNA and a Protein-DNA Complex Including Solvent

机译：DNA和蛋白质-DNA复合物（包括溶剂）的分子动力学模拟
- 作者：D. L. BEVERIDGE;K. J. McCONNELL;M. A. YOUNG;S. VIJAYAKUMAR;G. RAVISHANKER
- 期刊名称：《Molecular Engineering: An Interdisciplinary Journal Devoted to the Design, Characterization, and Application of Molecules and Molecular Materials Endowed with Specific Biological, Chemical, and Physical Properties》 | 1995年第3期
- MD;
- DNA;
- protein-DNA;
- simulation;
- solvent;
- lambda represser;
- operator;
- GROMOS;
- reduced charge model;
16.Simulation of a Fluid Phase Lipid Bilayer Membrane: Incorporation of the Surface Tension into System Boundary Conditions

机译：液相脂质双层膜的模拟：将表面张力纳入系统边界条件
- 作者：S.-W. CHIU;M. CLARK;V. BALAJI;S. SUBRAMANIAM;H. I. SCOTT;E. JAKOBSSON
- 期刊名称：《Molecular Engineering: An Interdisciplinary Journal Devoted to the Design, Characterization, and Application of Molecules and Molecular Materials Endowed with Specific Biological, Chemical, and Physical Properties》 | 1995年第3期
- Surface tension;
- molecular dynamics;
- lipid membranes;
- membrane models;
- interfacial phenomena;
17.The Molecular Mechanics Program DUPLEX: Computing Structures of Carcinogen Modified DNA by Surveying the Potential Energy Surface

机译：分子力学程序DUPLEX：通过测量势能面来计算致癌物修饰的DNA的结构
- 作者：BRIAN E. HINGERTY;SUSE BROYDE
- 期刊名称：《Molecular Engineering: An Interdisciplinary Journal Devoted to the Design, Characterization, and Application of Molecules and Molecular Materials Endowed with Specific Biological, Chemical, and Physical Properties》 | 1995年第3期
- Molecular mechanics;
- DNA;
- carcinogens;
- structures;
- potential energy surface;
18.Structure Modeling of the Acetylcholine Receptor Channel and Related Ligand Gated Channels

机译：乙酰胆碱受体通道和相关配体门控通道的结构建模
- 作者：EBERHARD VON KITZING
- 期刊名称：《Molecular Engineering: An Interdisciplinary Journal Devoted to the Design, Characterization, and Application of Molecules and Molecular Materials Endowed with Specific Biological, Chemical, and Physical Properties》 | 1995年第3期
19.Protein Dynamics: From the Native to the Unfolded State and Back Again

机译：蛋白质动力学：从天然状态到未折叠状态再返回
- 作者：MARTIN KARPLUS;AMEDEO CAFLISCH;ANDREJ SALI;EUGENE SHAKHNOVICH
- 期刊名称：《Molecular Engineering: An Interdisciplinary Journal Devoted to the Design, Characterization, and Application of Molecules and Molecular Materials Endowed with Specific Biological, Chemical, and Physical Properties》 | 1995年第3期
- Molecular dynamics;
- barnase denaluration;
20.Molecular Dynamics Simulations of Phenylimidazole Inhibitor Complexes of Cytochrome P450_(cam)

机译：细胞色素P450_（cam）的苯基咪唑抑制剂配合物的分子动力学模拟
- 作者：DAN L. HARRIS;YAN-TYNG CHANG;GILDA H. LOEW
- 期刊名称：《Molecular Engineering: An Interdisciplinary Journal Devoted to the Design, Characterization, and Application of Molecules and Molecular Materials Endowed with Specific Biological, Chemical, and Physical Properties》 | 1995年第3期
- P450_(cam);
- phenylimidazole inhibitor;
- molecular dynamics simulation;
21.Modelling the Interactions of Protein Side-Chains

机译：建模蛋白质侧链的相互作用
- 作者：JOHN B. O. MITCHELL;JANET M. THORNTON;SARAH L. PRICE
- 期刊名称：《Molecular Engineering: An Interdisciplinary Journal Devoted to the Design, Characterization, and Application of Molecules and Molecular Materials Endowed with Specific Biological, Chemical, and Physical Properties》 | 1995年第3期
22.Electronic Properties of Inorganic Benzenes

机译：无机苯的电子性质
- 作者：D. HAMMOUTENE;O. BOUCEKKINE;A. BOUCEKKINE;G. BERTHIER
- 期刊名称：《Molecular Engineering: An Interdisciplinary Journal Devoted to the Design, Characterization, and Application of Molecules and Molecular Materials Endowed with Specific Biological, Chemical, and Physical Properties》 | 1995年第4期
- Electric properties;
- hyperpolarizabilities;
- MNDO;
- PM3;
- AMI calculations;
- inorganic benzenes;
23.Practical Tools for Molecular Modeling of Complex Carbohydrates and Their Interactions with Proteins

机译：复杂碳水化合物及其与蛋白质相互作用的分子建模实用工具
- 作者：SERGE PfiREZ;CHRISTOPHE MEYER;ANNE IMBERTY
- 期刊名称：《Molecular Engineering: An Interdisciplinary Journal Devoted to the Design, Characterization, and Application of Molecules and Molecular Materials Endowed with Specific Biological, Chemical, and Physical Properties》 | 1995年第3期
- Carbohydrate;
- lectin;
- modeling;
- interaction;
- force field;
- database;
24.Essential Degrees of Freedom of Proteins

机译：蛋白质的基本自由度
- 作者：ANDREA AMADEI;ANTONIUS B. M. LINSSEN;BERT L. DE OROOT;HERMAN J. C. BERENDSEN
- 期刊名称：《Molecular Engineering: An Interdisciplinary Journal Devoted to the Design, Characterization, and Application of Molecules and Molecular Materials Endowed with Specific Biological, Chemical, and Physical Properties》 | 1995年第3期
- Molecular dynamics;
- essential degrees of freedom of proteins;
- lysozyme;
- haloalkane dehalogenase;
- HPr;
25.Amino-Modified Silicate Gels Prepared by Sol-Gel Processing as Metal-Ion Sorbents

机译：溶胶-凝胶法制备的金属离子吸附剂的氨基改性硅酸盐凝胶
- 作者：ANDRZEJ M. KLONKOWSKI;TERESA WIDERNIK;BEATA GROBELNA
- 期刊名称：《Molecular Engineering: An Interdisciplinary Journal Devoted to the Design, Characterization, and Application of Molecules and Molecular Materials Endowed with Specific Biological, Chemical, and Physical Properties》 | 1995年第4期
- Amino modified silicate gel;
- sol-gel processing;
- metal ion sorbent;
26.Rational Design of Switched Triple Helix-Forming Oligonucleotides: Extension of Sequences for Triple Helix Formation

机译：开关三重螺旋形成寡核苷酸的合理设计：三重螺旋形成序列的扩展。
- 作者：JIAN-SHENG SUN
- 期刊名称：《Molecular Engineering: An Interdisciplinary Journal Devoted to the Design, Characterization, and Application of Molecules and Molecular Materials Endowed with Specific Biological, Chemical, and Physical Properties》 | 1995年第3期
- Design of triple helix-forming oligonucleotides;
- switched triple helix;
- switch code;
- anligene strategy;
27.Biomolecules at Phase Boundaries

机译：相界处的生物分子
- 作者：PETER AHLSTROM;JUKKA LAUSMAA;PATRIK LOFGREN;HERMAN;J. C. BERENDSEN
- 期刊名称：《Molecular Engineering: An Interdisciplinary Journal Devoted to the Design, Characterization, and Application of Molecules and Molecular Materials Endowed with Specific Biological, Chemical, and Physical Properties》 | 1995年第3期
28.Electronic Structure and Polarizabilities of Some Heterocycles: I. Hydroxypyrazoles and Related Systems

机译：一些杂环的电子结构和极化性：I.羟基吡唑及其相关系统
- 作者：GEORGl D. NEYKOV;VENEL1N ENCHEV;VALENTIN MONEY;IVO KANEV
- 期刊名称：《Molecular Engineering: An Interdisciplinary Journal Devoted to the Design, Characterization, and Application of Molecules and Molecular Materials Endowed with Specific Biological, Chemical, and Physical Properties》 | 1995年第4期
- Polarizabilities;
- pyrazolones;
- hydroxypyrazoles;
- tautomerism;
- electronic structure;
- excited states;
- nonlinear optics;
29.Modelling of Transmembrane alpha-Helix Bundles

机译：跨膜α-螺旋束的建模
- 作者：PIERRE TUFFfiRY;CATHERINE ETCHEBEST;RICHARD LAVERY
- 期刊名称：《Molecular Engineering: An Interdisciplinary Journal Devoted to the Design, Characterization, and Application of Molecules and Molecular Materials Endowed with Specific Biological, Chemical, and Physical Properties》 | 1995年第3期
- Protein structure;
- computer simulation;
- membrane;

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