Works matching IS 0920654X AND DT 2012 AND VI 26 AND IP 8

Results: 8

Structural prediction of a novel chitinase from the psychrophilic Glaciozyma antarctica PI12 and an analysis of its structural properties and function.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 8, p. 947, doi. 10.1007/s10822-012-9585-7

By:

Ramli, Aizi;
Mahadi, Nor;
Shamsir, Mohd;
Rabu, Amir;
Joyce-Tan, Kwee;
Murad, Abdul;
Illias, Rosli

Publication type:

Article

Combining conformational sampling and selection to identify the binding mode of zinc-bound amyloid peptides with bifunctional molecules.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 8, p. 963, doi. 10.1007/s10822-012-9588-4

By:

Xu, Liang;
Gao, Ke;
Bao, Chunyu;
Wang, Xicheng

Publication type:

Article

FRED and HYBRID docking performance on standardized datasets.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 8, p. 897, doi. 10.1007/s10822-012-9584-8

By:

McGann, Mark

Publication type:

Article

Computer-assisted study on the reaction between pyruvate and ylide in the pathway leading to lactyl-ThDP.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 8, p. 977, doi. 10.1007/s10822-012-9589-3

By:

Alvarado, Omar;
Jaña, Gonzalo;
Delgado, Eduardo

Publication type:

Article

Comprehensive model of wild-type and mutant HIV-1 reverse transciptases.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 8, p. 907, doi. 10.1007/s10822-012-9586-6

By:

Ballante, Flavio;
Musmuca, Ira;
Marshall, Garland;
Ragno, Rino

Publication type:

Article

Using halogen bonds to address the protein backbone: a systematic evaluation.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 8, p. 935, doi. 10.1007/s10822-012-9592-8

By:

Wilcken, Rainer;
Zimmermann, Markus;
Lange, Andreas;
Zahn, Stefan;
Boeckler, Frank

Publication type:

Article

Virtual fragment screening: exploration of MM-PBSA re-scoring.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 8, p. 921, doi. 10.1007/s10822-012-9590-x

By:

Kawatkar, Sameer;
Moustakas, Demetri;
Miller, Matthew;
Joseph-McCarthy, Diane

Publication type:

Article

Identification of common inhibitors of wild-type and T315I mutant of BCR-ABL through the parallel structure-based virtual screening.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 8, p. 983, doi. 10.1007/s10822-012-9593-7

By:

Park, Hwangseo;
Hong, Seunghee;
Hong, Sungwoo

Publication type:

Article