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Works matching IS 0920654X AND DT 2010 AND VI 24 AND IP 9

Results: 6

1

An efficient synthesis of a rationally designed 1,5 disubstituted imidazole AT<sub>1</sub> Angiotensin II receptor antagonist: reorientation of imidazole pharmacophore groups in losartan reserves high receptor affinity and confirms docking studies.

Published in:

Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 9, p. 749, doi. 10.1007/s10822-010-9371-3

By:

Agelis, George;
Roumelioti, Panagiota;
Resvani, Amalia;
Durdagi, Serdar;
Androutsou, Maria-Eleni;
Kelaidonis, Konstantinos;
Vlahakos, Demetrios;
Mavromoustakos, Thomas;
Matsoukas, John

Publication type:

Article

2

In silico analysis of the histaprodifen induced activation pathway of the guinea-pig histamine H<sub>1</sub>-receptor.

Published in:

Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 9, p. 759, doi. 10.1007/s10822-010-9372-2

By:

Straßer, Andrea;
Wittmann, Hans-Joachim

Publication type:

Article

3

Flexibility of a biotinylated ligand in artificial metalloenzymes based on streptavidin—an insight from molecular dynamics simulations with classical and ab initio force fields.

Published in:

Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 9, p. 719, doi. 10.1007/s10822-010-9369-x

By:

Panek, Jarosław J.;
Ward, Thomas R.;
Jezierska-Mazzarello, Aneta R.;
Novič, Marjana

Publication type:

Article

4

Phosphorylation and ATP-binding induced conformational changes in the PrkC, Ser/Thr kinase from B. subtilis.

Published in:

Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 9, p. 733, doi. 10.1007/s10822-010-9370-4

By:

Gruszczyński, Paweł;
Obuchowski, Michał;
Kaźmierkiewicz, Rajmund

Publication type:

Article

5

ElectroShape: fast molecular similarity calculations incorporating shape, chirality and electrostatics.

Published in:

Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 9, p. 789, doi. 10.1007/s10822-010-9374-0

By:

Armstrong, M. Stuart;
Morris, Garrett M.;
Finn, Paul W.;
Sharma, Raman;
Moretti, Loris;
Cooper, Richard I.;
Richards, W. Graham

Publication type:

Article

6

Homology modeling and metabolism prediction of human carboxylesterase-2 using docking analyses by GriDock: a parallelized tool based on AutoDock 4.0.

Published in:

Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 9, p. 771, doi. 10.1007/s10822-010-9373-1

By:

Vistoli, Giulio;
Pedretti, Alessandro;
Mazzolari, Angelica;
Testa, Bernard

Publication type:

Article