Works matching IS 0920654X AND DT 2011 AND VI 25 AND IP 1

Results: 7

In silico strategies for the selection of chelating compounds with potential application in metal-promoted neurodegenerative diseases.

Published in:

Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 1, p. 21, doi. 10.1007/s10822-010-9396-7

By:

Rodríguez-Rodríguez, Cristina;
Rimola, Albert;
Alí-Torres, Jorge;
Sodupe, Mariona;
González-Duarte, Pilar

Publication type:

Article

Toward better QSAR/QSPR modeling: simultaneous outlier detection and variable selection using distribution of model features.

Published in:

Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 1, p. 67, doi. 10.1007/s10822-010-9401-1

By:

Cao, Dongsheng;
Liang, Yizeng;
Xu, Qingsong;
Yun, Yifeng;
Li, Hongdong

Publication type:

Article

Computer-aided drug design platform using PyMOL.

Published in:

Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 1, p. 13, doi. 10.1007/s10822-010-9395-8

By:

Lill, Markus A.;
Danielson, Matthew L.

Publication type:

Article

Challenges in the determination of the binding modes of non-standard ligands in X-ray crystal complexes.

Published in:

Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 1, p. 1, doi. 10.1007/s10822-010-9397-6

By:

Malde, Alpeshkumar K.;
Mark, Alan E.

Publication type:

Article

Computer-assisted combinatorial design of bicyclic thymidine analogs as inhibitors of Mycobacterium tuberculosis thymidine monophosphate kinase.

Published in:

Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 1, p. 31, doi. 10.1007/s10822-010-9399-4

By:

Frecer, Vladimir;
Seneci, Pierfausto;
Miertus, Stanislav

Publication type:

Article

Theoretical studies on the interaction of partial agonists with the 5-HT receptor.

Published in:

Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 1, p. 51, doi. 10.1007/s10822-010-9400-2

By:

Silva, Maria Elena;
Heim, Ralf;
Strasser, Andrea;
Elz, Sigurd;
Dove, Stefan

Publication type:

Article

Molecular and structural determinants of adamantyl susceptibility to HLA-DRs allelic variants: an in silico approach to understand the mechanism of MLEs.

Published in:

Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 1, p. 81, doi. 10.1007/s10822-010-9404-y

By:

Zaheer-ul-Haq;
Khan, Waqasuddin

Publication type:

Article