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4,366 articles with title/keywords/abstract containing MOLECULAR MODELING

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Free Content Variations in the Sorptive Properties of Organovermiculites Modified with Hexadecyltrimethylammonium and Hexadecylpyridinium Cations

Authors: Plachá, Daniela; Martynková, Gražyna Simha; Rümmeli, Mark H.

Source: Journal of Scientific Conference Proceedings, Volume 2, Number 1, April 2010 , pp. 36-41(6)

Publisher: American Scientific Publishers

Structure Function Relationships of KTS Disintegrins and Design of Antiangiogenic Drugs

Authors: Kallech-Ziri, Olfa; Luis, Jose; Faljoun, Ziad; Sabatier, Jean-Marc; Lehmann, Maxime; Ayeb, Mohamed E.; Marrakchi, Naziha; Loret, Erwann

Source: Letters in Drug Design & Discovery, Volume 7, Number 1, January 2010 , pp. 36-40(5)

Publisher: Bentham Science Publishers

Content loaded within last 14 days Hydropathic analysis and biological evaluation of stilbene derivatives as colchicine site microtubule inhibitors with anti-leukemic activity

Authors: Tripathi, Ashutosh; Durrant, David; Lee, Ray M.; Baruchello, Riccardo; Romagnoli, Romeo; Simoni, Daniele; Kellogg, Glen E.

Source: Journal of Enzyme Inhibition and Medicinal Chemistry, Volume 24, Number 6, December 2009 , pp. 1237-1244(8)

Publisher: Informa Healthcare

Content loaded within last 14 days Bayesian Variable Selection with Joint Modeling of Categorical and Survival Outcomes: An Application to Individualizing Chemotherapy Treatment in Advanced Colorectal Cancer

Authors: Chen, Wei; Ghosh, Debashis; Raghunathan, Trivellore E.; Sargent, Daniel J.

Source: Biometrics, Volume 65, Number 4, December 2009 , pp. 1030-1040(11)

Publisher: Blackwell Publishing

Content loaded within last 14 days Computer Algebra in Systems Biology

Authors: Laubenbacher, Reinhard; Sturmfels, Bernd

Source: American Mathematical Monthly, Volume 116, Number 10, December 2009 , pp. 882-891(10)

Publisher: Mathematical Association of America

Content loaded within last 14 days Overview of computational methods employed in early-stage drug discovery

Authors: Skjevik, Åge Aleksander; Teigen, Knut; Martinez, Aurora

Source: Future Medicinal Chemistry, Volume 1, Number 1, April 2009 , pp. 49-63(15)

Publisher: Future Science

Rhodopsin and the Others: A Historical Perspective on Structural Studies of G Protein-Coupled Receptors

Authors: Costanzi, Stefano; Siegel, Jeffrey; Tikhonova, Irina G.; Jacobson, Kenneth A.

Source: Current Pharmaceutical Design, Volume 15, Number 35, December 2009 , pp. 3994-4002(9)

Publisher: Bentham Science Publishers

Unraveling the Structure and Function of G Protein-Coupled Receptors Through NMR Spectroscopy

Authors: Tikhonova, Irina G.; Costanzi, Stefano

Source: Current Pharmaceutical Design, Volume 15, Number 35, December 2009 , pp. 4003-4016(14)

Publisher: Bentham Science Publishers

Progress in Elucidating the Structural and Dynamic Character of G Protein-Coupled Receptor Oligomers for Use in Drug Discovery

Authors: Bortolato, A.; Mobarec, J. C.; Provasi, D.; Filizola, M.

Source: Current Pharmaceutical Design, Volume 15, Number 35, December 2009 , pp. 4017-4025(9)

Publisher: Bentham Science Publishers

Homology modeling of a novel epoxide hydrolase (EH) from Aspergillus niger SQ-6: structure-activity relationship in expoxides inhibiting EH activity

Authors: Luo, Quan; Yao, Yuan; Han, Wei-Wei; Zhou, Yi-Han; Li, Ze-Sheng

Source: Journal of Molecular Modeling, Volume 15, Number 9, September 2009 , pp. 1125-1132(8)

Publisher: Springer

TESTING PHYLOGEOGRAPHIC HYPOTHESES IN A EURO-SIBERIAN COLD-ADAPTED LEAF BEETLE WITH COALESCENT SIMULATIONS

Authors: Mardulyn, Patrick; Mikhailov, Yuri E.; Pasteels, Jacques M.

Source: Evolution, Volume 63, Number 10, October 2009 , pp. 2717-2729(13)

Publisher: Blackwell Publishing

DNA Nanotechnology and Computer Systems of Nucleic Acids

Authors: Zhu, Jinhao; Mi, Yongli

Source: Journal of Computational and Theoretical Nanoscience, Volume 6, Number 10, October 2009 , pp. 2075-2087(13)

Publisher: American Scientific Publishers

The Use of Shape Grammar-Cellular Automata for Modeling Molecular Dynamics

Author: Speller Jr., Thomas H.

Source: Journal of Computational and Theoretical Nanoscience, Volume 6, Number 10, October 2009 , pp. 2179-2193(15)

Publisher: American Scientific Publishers

Computational Methods for Evaluating Phylogenetic Models of Coding Sequence Evolution with Dependence between Codons

Authors: Rodrigue, Nicolas; Kleinman, Claudia L.; Philippe, Herv; Lartillot, Nicolas

Source: Molecular Biology and Evolution, Volume 26, Number 7, 6 July 2009 , pp. 1663-1676(14)

Publisher: Oxford University Press

Reactive extraction of diols with phenyl boronic acid and trioctylmethylammonium chloride as coextractants and quantitative structure-property relationship of their extraction behaviors

Authors: Matsumoto, Michiaki; Kado, Atsushi; Shiraki, Takayoshi; Kondo, Kazuo; Yoshizuka, Kazuharu

Source: Journal of Chemical Technology & Biotechnology, Volume 84, Number 11, November 2009 , pp. 1712-1716(5)

Publisher: John Wiley & Sons, Ltd.

3D-QSAR Studies on a Series of Inhibitors Docked into a New Homology Model of the DNA-PK Receptor

Authors: Cao, Ran; Zeng, Huahui; Zhang, Huabei

Source: Current Pharmaceutical Design, Volume 15, Number 32, November 2009 , pp. 3796-3825(30)

Publisher: Bentham Science Publishers

New insights into the structural characteristics and functional relevance of the human cytochrome P450 2D6 enzyme

Authors: Wang, Bo; Yang, Li-Ping; Zhang, Xiao-Zhuang; Huang, Shui-Qing; Bartlam, Mark; Zhou, Shu-Feng

Source: Drug Metabolism Reviews, Volume 41, Number 4, November 2009 , pp. 573-643(71)

Publisher: Informa Healthcare

Kohn-Sham DFT and ligand-field theory — Is there a synergy?

Authors: Schäffer, Claus E.; Bendix, Jesper

Source: Canadian Journal of Chemistry, Volume 87, Number 10, 1 October 2009 , pp. 1302-1312(11)

Publisher: NRC Research Press

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