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Works matching IS 0920654X AND DT 2006 AND VI 20 AND IP 10/11

Results: 6

1

Molecular modeling and bioinformatical analysis of the antibacterial target enzyme MurA from a drug design perspective.

Published in:

Journal of Computer-Aided Molecular Design, 2006, v. 20, n. 10/11, p. 621, doi. 10.1007/s10822-006-9062-2

By:

Klein, Christian D.;
Bachelier, Anke

Publication type:

Article

2

Conformational specificity of non-canonical base pairs and higher order structures in nucleic acids: crystal structure database analysis.

Published in:

Journal of Computer-Aided Molecular Design, 2006, v. 20, n. 10/11, p. 629, doi. 10.1007/s10822-006-9083-x

By:

Mukherjee, Shayantani;
Bansal, Manju;
Bhattacharyya, Dhananjay

Publication type:

Article

3

Molecular dynamics simulation of the human adenosine A<sub>3</sub> receptor: agonist induced conformational changes of Trp243.

Published in:

Journal of Computer-Aided Molecular Design, 2006, v. 20, n. 10/11, p. 673, doi. 10.1007/s10822-006-9088-5

By:

Hallmen, Christian;
Wiese, Michael

Publication type:

Article

4

PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results.

Published in:

Journal of Computer-Aided Molecular Design, 2006, v. 20, n. 10/11, p. 647, doi. 10.1007/s10822-006-9087-6

By:

Dixon, Steven L.;
Smondyrev, Alexander M.;
Knoll, Eric H.;
Rao, Shashidhar N.;
Shaw, David E.;
Friesner, Richard A.

Publication type:

Article

5

Bond-based global and local (bond, group and bond-type) quadratic indices and their applications to computer-aided molecular design. 1. QSPR studies of diverse sets of organic chemicals.

Published in:

Journal of Computer-Aided Molecular Design, 2006, v. 20, n. 10/11, p. 685, doi. 10.1007/s10822-006-9089-4

By:

Marrero-Ponce, Yovani;
Torrens, Francisco;
Alvarado, Ysaias J.;
Rotondo, Richard

Publication type:

Article

6

Development and validation of a modular, extensible docking program: DOCK 5.

Published in:

Journal of Computer-Aided Molecular Design, 2006, v. 20, n. 10/11, p. 601, doi. 10.1007/s10822-006-9060-4

By:

Moustakas, Demetri T.;
Lang, P. Therese;
Pegg, Scott;
Pettersen, Eric;
Kuntz, Irwin D.;
Brooijmans, Natasja;
Rizzo, Robert C.

Publication type:

Article