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Works matching IS 0920654X AND DT 2005 AND VI 19 AND IP 11

Results: 5

1

Can free energy calculations be fast and accurate at the same time? Binding of low-affinity, non-peptide inhibitors to the SH2 domain of the src protein.

Published in:

Journal of Computer-Aided Molecular Design, 2005, v. 19, n. 11, p. 765, doi. 10.1007/s10822-005-9021-3

By:

Chipot, Christophe;
Rozanska, Xavier;
Dixit, Surjit B.

Publication type:

Article

2

Genetic neural network modeling of the selective inhibition of the intermediate-conductance Ca<sup>2+</sup>-activated K<sup>+ </sup>channel by some triarylmethanes using topological charge indexes descriptors.

Published in:

Journal of Computer-Aided Molecular Design, 2005, v. 19, n. 11, p. 771, doi. 10.1007/s10822-005-9025-z

By:

Caballero, Julio;
Garriga, Miguel;
Fernández, Michael

Publication type:

Article

3

Structure-activity relationships for a new family of sulfonylurea herbicides.

Published in:

Journal of Computer-Aided Molecular Design, 2005, v. 19, n. 11, p. 801, doi. 10.1007/s10822-005-9028-9

By:

Jian-Guo Wang;
Zheng-Ming Li;
Ning Ma;
Bao-Lei Wang;
Lin Jiang;
Siew Siew Pang;
Yu-Ting Lee;
Guddat, Luke W.;
Duggleby, Ronald G.

Publication type:

Article

4

Automated QSPR through Competitive Workflow.

Published in:

Journal of Computer-Aided Molecular Design, 2005, v. 19, n. 11, p. 821, doi. 10.1007/s10822-005-9029-8

By:

Cartmell, J.;
Enoch, S.;
Krstajic, D.;
Leahy, D. E.

Publication type:

Article

5

BALLView: An object-oriented molecular visualization and modeling framework.

Published in:

Journal of Computer-Aided Molecular Design, 2005, v. 19, n. 11, p. 791, doi. 10.1007/s10822-005-9027-x

By:

Moll, Andreas;
Hildebrandt, Andreas;
Lenhof, Hans-Peter;
Kohlbacher, Oliver

Publication type:

Article