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Works matching IS 0920654X AND DT 2009 AND VI 23 AND IP 5

Results: 5

1

QSAR application for the prediction of compound permeability with in silico descriptors in practical use.

Published in:

Journal of Computer-Aided Molecular Design, 2009, v. 23, n. 5, p. 309, doi. 10.1007/s10822-009-9261-8

By:

Nakao, Kazuya;
Fujikawa, Masaaki;
Shimizu, Ryo;
Akamatsu, Miki

Publication type:

Article

2

Drug-resistant molecular mechanism of CRF01_AE HIV-1 protease due to V82F mutation.

Published in:

Journal of Computer-Aided Molecular Design, 2009, v. 23, n. 5, p. 261, doi. 10.1007/s10822-008-9256-x

By:

Liu, Xiaoqing;
Xiu, Zhilong;
Hao, Ce

Publication type:

Article

3

A critical cross-validation of high throughput structural binding prediction methods for pMHC.

Published in:

Journal of Computer-Aided Molecular Design, 2009, v. 23, n. 5, p. 301, doi. 10.1007/s10822-009-9259-2

By:

Knapp, Bernhard;
Omasits, Ulrich;
Frantal, Sophie;
Schreiner, Wolfgang

Publication type:

Article

4

Scoring confidence index: statistical evaluation of ligand binding mode predictions.

Published in:

Journal of Computer-Aided Molecular Design, 2009, v. 23, n. 5, p. 289, doi. 10.1007/s10822-008-9258-8

By:

Zavodszky, Maria I.;
Stumpff-Kane, Andrew W.;
Lee, David J.;
Feig, Michael

Publication type:

Article

5

Identifying conformational changes of the β<sub>2</sub> adrenoceptor that enable accurate prediction of ligand/receptor interactions and screening for GPCR modulators.

Published in:

Journal of Computer-Aided Molecular Design, 2009, v. 23, n. 5, p. 273, doi. 10.1007/s10822-008-9257-9

By:

Reynolds, Kimberly A.;
Katritch, Vsevolod;
Abagyan, Ruben

Publication type:

Article