Works matching IS 16102940 AND DT 2008 AND VI 14 AND IP 10

Results: 12

Molecular docking guided 3D-QSAR CoMFA analysis of N-4-Pyrimidinyl-1H-indazol-4-amine inhibitors of leukocyte-specific protein tyrosine kinase.

Published in:

Journal of Molecular Modeling, 2008, v. 14, n. 10, p. 937, doi. 10.1007/s00894-008-0334-8

By:

Mahendra Awale;
C. Mohan

Publication type:

Article

Cellular interaction through LewisX cluster: theoretical studies.

Published in:

Journal of Molecular Modeling, 2008, v. 14, n. 10, p. 901

By:

Florent Barbault;
Chafika Gourmala;
Yongmin Zhang;
François Maurel;
Yongzhou Hu;
Bo Fan

Publication type:

Article

Computational models for the shuttling motion of the macrocycle in rotaxane-based molecular switches.

Published in:

Journal of Molecular Modeling, 2008, v. 14, n. 10, p. 879, doi. 10.1007/s00894-008-0331-y

By:

Pipsa Hirva;
Matti Haukka;
Tapani Pakkanen

Publication type:

Article

The anti-fibrillogenic activity of tetracyclines on PrP 106–126: a 3D-QSAR study.

Published in:

Journal of Molecular Modeling, 2008, v. 14, n. 10, p. 987, doi. 10.1007/s00894-008-0348-2

By:

Ugo Cosentino;
Demetrio Pitea;
Giorgio Moro;
Gloria Saracino;
Pietro Caria;
Rosaria Varì;
Laura Colombo;
Gianluigi Forloni;
Fabrizio Tagliavini;
Mario Salmona

Publication type:

Article

CoMFA based de novo design of Pyrrolidine Carboxamides as Inhibitors of Enoyl Acyl Carrier Protein Reductase from Mycobacterium tuberculosis.

Published in:

Journal of Molecular Modeling, 2008, v. 14, n. 10, p. 923, doi. 10.1007/s00894-008-0326-8

By:

Ashutosh Kumar;
Mohammad Siddiqi

Publication type:

Article

Homology modeling and dynamics of the extracellular domain of rat and human neuronal nicotinic acetylcholine receptor subtypes α4β2 and α7.

Published in:

Journal of Molecular Modeling, 2008, v. 14, n. 10, p. 891, doi. 10.1007/s00894-008-0340-x

By:

William Bisson;
Gerrit Westera;
P. Schubiger;
Leonardo Scapozza

Publication type:

Article

A computational investigation of sulfur-containing heterocyclic components from the anal sac secretions of Mustela species.

Published in:

Journal of Molecular Modeling, 2008, v. 14, n. 10, p. 967, doi. 10.1007/s00894-008-0347-3

By:

William Setzer

Publication type:

Article

A neural networks study of quinone compounds with trypanocidal activity.

Published in:

Journal of Molecular Modeling, 2008, v. 14, n. 10, p. 975, doi. 10.1007/s00894-008-0332-x

By:

Fábio de Molfetta;
Wagner Angelotti;
Roseli Romero;
Carlos Montanari;
Albérico da Silva

Publication type:

Article

The electronic structure of the C2H4O···2HF tri-molecular heterocyclic hydrogen-bonded complex: a theoretical study.

Published in:

Journal of Molecular Modeling, 2008, v. 14, n. 10, p. 949, doi. 10.1007/s00894-008-0337-5

By:

Boaz de Oliveira;
Regiane Araújo;
Francisco Chagas;
Antônio Carvalho;
Mozart Ramos

Publication type:

Article

Pharmacophore mapping of a series of pyrrolopyrimidines, indolopyrimidines and their congeners as multidrug-resistance-associated protein (MRP1) modulators.

Published in:

Journal of Molecular Modeling, 2008, v. 14, n. 10, p. 911, doi. 10.1007/s00894-008-0330-z

By:

Nilesh Tawari;
Seema Bag;
Mariam Degani

Publication type:

Article

Computational studies of the binding site of α1A-adrenoceptor antagonists.

Published in:

Journal of Molecular Modeling, 2008, v. 14, n. 10, p. 957, doi. 10.1007/s00894-008-0342-8

By:

Minyong Li;
Hao Fang;
Lupei Du;
Lin Xia

Publication type:

Article

Ligation of Aza bases to the AgF2 molecule: a theoretical study.

Published in:: Journal of Molecular Modeling, 2008, v. 14, n. 10, p. 887, doi. 10.1007/s00894-008-0336-6
Publication type:: Article

Works matching IS 16102940 AND DT 2008 AND VI 14 AND IP 10

Molecular docking guided 3D-QSAR CoMFA analysis of N-4-Pyrimidinyl-1H-indazol-4-amine inhibitors of leukocyte-specific protein tyrosine kinase.

Cellular interaction through LewisX cluster: theoretical studies.

Computational models for the shuttling motion of the macrocycle in rotaxane-based molecular switches.

The anti-fibrillogenic activity of tetracyclines on PrP 106–126: a 3D-QSAR study.

CoMFA based de novo design of Pyrrolidine Carboxamides as Inhibitors of Enoyl Acyl Carrier Protein Reductase from Mycobacterium tuberculosis.

Homology modeling and dynamics of the extracellular domain of rat and human neuronal nicotinic acetylcholine receptor subtypes α4β2 and α7.

A computational investigation of sulfur-containing heterocyclic components from the anal sac secretions of Mustela species.

A neural networks study of quinone compounds with trypanocidal activity.

The electronic structure of the C<sub>2</sub>H<sub>4</sub>O···2HF tri-molecular heterocyclic hydrogen-bonded complex: a theoretical study.

Pharmacophore mapping of a series of pyrrolopyrimidines, indolopyrimidines and their congeners as multidrug-resistance-associated protein (MRP1) modulators.

Computational studies of the binding site of α<sub>1A</sub>-adrenoceptor antagonists.

Ligation of Aza bases to the AgF<sub>2</sub> molecule: a theoretical study.