SAR and QSAR in Environmental Research, Volume 19, Issue 1-2 (2008)

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SAR and QSAR in Environmental Research, Volume 19, Issue 1-2 (2008)

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Original Articles

Article
Internet resources integrating many small-molecule databases1
M. Sitzmann, I.V. Filippov & M.C. Nicklaus
Pages: 1-9
Published online: 04 Dec 2010
AbstractforInternet resources integrating many small-molecule databases1 | Full Text | References | PDF (696.4 KB)
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Article
Internet resources in GPCR modelling
A.K. Saxena, I. Alam, A. Dixit & M. Saxena
Pages: 11-25
Published online: 04 Dec 2010
AbstractforInternet resources in GPCR modelling | Full Text | References | PDF (1 MB)
  • 107 Views
  • 6 CrossRef citations
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Article
Computer-aided prediction for medicinal chemistry via the Internet
A Geronikaki, D Druzhilovsky, A Zakharov & V Poroikov
Pages: 27-38
Published online: 04 Dec 2010
AbstractforComputer-aided prediction for medicinal chemistry via the Internet | Full Text | References | PDF (123.2 KB)
  • 149 Views
  • 37 CrossRef citations
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Article
Integrated approach to assess the domain of applicability of some commercial (Q)SAR models
S.A. Kulkarni & J. Zhu
Pages: 39-54
Published online: 04 Dec 2010
AbstractforIntegrated approach to assess the domain of applicability of some commercial (Q)SAR models | Full Text | References | PDF (130.6 KB)
  • 57 Views
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Article
Chemometric analysis of the multidrug resistance in strains of Penicillium digitatum
R. Kiralj & M.M.C. Ferreira
Pages: 55-70
Published online: 04 Dec 2010
AbstractforChemometric analysis of the multidrug resistance in strains of Penicillium digitatum | Full Text | References | PDF (527.2 KB)
  • 52 Views
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Article
Toward basic understanding of the partition coefficient log P and its application in QSAR
H. Chuman
Pages: 71-79
Published online: 04 Dec 2010
AbstractforToward basic understanding of the partition coefficient log P and its application in QSAR | Full Text | References | PDF (215.2 KB)
  • 92 Views
  • 3 CrossRef citations
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Article
Computer-aided prediction of QT-prolongation
O. Filz, A. Lagunin, D. Filimonov & V. Poroikov
Pages: 81-90
Published online: 04 Dec 2010
AbstractforComputer-aided prediction of QT-prolongation | Full Text | References | PDF (107.1 KB)
  • 87 Views
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Article
Ligand-specific scoring functions: improved ranking of docking solutions
T.V. Pyrkov, J.P. Priestle, E. Jacoby & R.G. Efremov
Pages: 91-99
Published online: 04 Dec 2010
AbstractforLigand-specific scoring functions: improved ranking of docking solutions | Full Text | References | PDF (661.7 KB)
  • 92 Views
  • 7 CrossRef citations
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Article
QSAR and pharmacophore analysis on amides against drug-resistant S. aureus
I. Yildiz, T. Ertan, K. Bolelli, O. Temiz-Arpaci, I. Yalcin & E. Aki
Pages: 101-113
Published online: 04 Dec 2010
AbstractforQSAR and pharmacophore analysis on amides against drug-resistant S. aureus | Full Text | References | PDF (394.5 KB)
  • 134 Views
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Article
Prediction of PAH mutagenicity in human cells by QSAR classification
E. Papa, P. Pilutti & P. Gramatica
Pages: 115-127
Published online: 04 Dec 2010
AbstractforPrediction of PAH mutagenicity in human cells by QSAR classification | Full Text | References | PDF (143.1 KB)
  • 248 Views
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Article
Decision trees versus support vector machine for classification of androgen receptor ligands
A. Panaye, J.P. Doucet, J. Devillers, N. Marchand-Geneste & J.M. Porcher
Pages: 129-151
Published online: 04 Dec 2010
AbstractforDecision trees versus support vector machine for classification of androgen receptor ligands | Full Text | References | PDF (300.7 KB)
  • 142 Views
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Article
Fast tools for calculation of atomic charges well suited for drug design
D.A. Shulga, A.A. Oliferenko, S.A. Pisarev, V.A. Palyulin & N.S. Zefirov
Pages: 153-165
Published online: 04 Dec 2010
AbstractforFast tools for calculation of atomic charges well suited for drug design | Full Text | References | PDF (158.6 KB)
  • 85 Views
  • 14 CrossRef citations
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Article
Prediction of pH-dependent aqueous solubility of Histone Deacetylase (HDAC) inhibitors
I. Kouskoumvekaki, N.T. Hansen, F. Björkling, S.M. Vadlamudi & S.Ó. Jónsdóttir
Pages: 167-177
Published online: 03 Dec 2010
AbstractforPrediction of pH-dependent aqueous solubility of Histone Deacetylase (HDAC) inhibitors | Full Text | References | PDF (237.5 KB)
  • 61 Views
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Article
Molecular dynamics simulations of the enzyme Catechol-O-Methyltransferase: methodological issues
A Bunker, PT Männistö, J.-F. St. Pierre, T Róg, P Pomorski, L Stimson & M Karttunen
Pages: 179-189
Published online: 04 Dec 2010
AbstractforMolecular dynamics simulations of the enzyme Catechol-O-Methyltransferase: methodological issues | Full Text | References | PDF (1.1 MB)
  • 193 Views
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