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Works matching IS 0920654X AND DT 2004 AND VI 18 AND IP 2

Results: 6

1

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

Published in:

Journal of Computer-Aided Molecular Design, 2004, v. 18, n. 2, p. 75, doi. 10.1023/B:jcam.0000030031.81235.05

By:

Aixia Yan;
Gasteiger, Johann;
Krug, Michael;
Anzali, Soheila

Publication type:

Article

2

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

Published in:

Journal of Computer-Aided Molecular Design, 2004, v. 18, n. 2, p. 89, doi. 10.1023/B:jcam.0000030032.81753.b4

By:

Lloyd, David G.;
Garcia-Sosa, Alfonso T.;
Alberts, Ian L.;
Todorov, Nikolay P.;
Mancera, Ricardo L.

Publication type:

Article

3

Gaussian mapping of chemical fragments in ligand binding sites.

Published in:

Journal of Computer-Aided Molecular Design, 2004, v. 18, n. 2, p. 101, doi. 10.1023/B:jcam.0000030033.26053.40

By:

Kun Wang;
Murcia, Marta;
Constana, Pere;
Pérez, Carlos;
Ortiz, Angel R.

Publication type:

Article

4

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

Published in:

Journal of Computer-Aided Molecular Design, 2004, v. 18, n. 2, p. 119, doi. 10.1023/B:jcam.0000030035.00229.eb

By:

Bendels, Stefanie;
Höltjea, Hans-Dieter

Publication type:

Article

5

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

Published in:

Journal of Computer-Aided Molecular Design, 2004, v. 18, n. 2, p. 135, doi. 10.1023/B:jcam.0000030036.67468.7c

By:

Smith, P.J.;
Popelier, P.L.A.

Publication type:

Article

6

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

Published in:

Journal of Computer-Aided Molecular Design, 2004, v. 18, n. 2, p. 145, doi. 10.1023/B:jcam.0000030037.67742.cb

By:

Duran, Dilek;
Aviyente, Viktorya;
Baysal, Canan

Publication type:

Article