Journal of Computer-Aided Molecular Design,volume 18,issue 2  (02-2014)

Period of time： 2014年2期

Publisher： Springer Publishing Company

Founded in： 1987

Total resources： 57

ISSN： 0920-654X

Subject： TP Automation Technology , Computer Technology

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Journal of Computer-Aided Molecular Design,volume 18,issue 2

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Linear and nonlinear functions on modeling of aqueous solubility of organic compounds by two structure representation methods

By Yan Aixia,Gasteiger Johann,Krug Michael,Anzali Soheila in (2004)

Journal of Computer-Aided Molecular Design,volume 18,issue 2 , Vol. 18, Iss. 2, 2004-02 , pp. 75-87

Springer Publishing Company

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The effect of tightly bound water molecules on the structural interpretation of ligand-derived pharmacophore models

By Lloyd David,García-Sosa Alfonso,Alberts Ian,Todorov Nikolay,Mancera Ricardo in (2004)

Journal of Computer-Aided Molecular Design,volume 18,issue 2 , Vol. 18, Iss. 2, 2004-02 , pp. 89-100

Springer Publishing Company

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Gaussian mapping of chemical fragments in ligand binding sites

By Wang Kun,Murcia Marta,Constans Pere,Pérez Carlos,Ortiz Angel in (2004)

Journal of Computer-Aided Molecular Design,volume 18,issue 2 , Vol. 18, Iss. 2, 2004-02 , pp. 101-118

Springer Publishing Company

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Comparison of a 3D-model of the classical α-scorpion toxin V from Leiurus quinquestriatus quinquestriatus with other scorpion toxins

By Bendels Stefanie,Höltje Hans-Dieter in (2004)

Journal of Computer-Aided Molecular Design,volume 18,issue 2 , Vol. 18, Iss. 2, 2004-02 , pp. 119-133

Springer Publishing Company

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Quantitative structure–activity relationships from optimised ab initio bond lengths: steroid binding affinity and antibacterial activity of nitrofuran derivatives

By Smith P.J.,Popelier P.L.A. in (2004)

Journal of Computer-Aided Molecular Design,volume 18,issue 2 , Vol. 18, Iss. 2, 2004-02 , pp. 135-143

Springer Publishing Company

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Solvent effect on the synthesis of clarithromycin: A molecular dynamics study

By Duran Dilek,Aviyente Viktorya,Baysal Canan in (2004)

Journal of Computer-Aided Molecular Design,volume 18,issue 2 , Vol. 18, Iss. 2, 2004-02 , pp. 145-154

Springer Publishing Company

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Total 6 item(s)