Works matching IS 0920654X AND DT 2011 AND VI 25 AND IP 12

Results: 7

A computational analysis of the binding mode of closantel as inhibitor of the Onchocerca volvulus chitinase: insights on macrofilaricidal drug design.

Published in:

Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 12, p. 1107, doi. 10.1007/s10822-011-9489-y

By:

Segura-Cabrera, Aldo;
Bocanegra-García, Virgilio;
Lizarazo-Ortega, Cristian;
Guo, Xianwu;
Correa-Basurto, José;
Rodríguez-Pérez, Mario

Publication type:

Article

DemQSAR: predicting human volume of distribution and clearance of drugs.

Published in:

Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 12, p. 1121, doi. 10.1007/s10822-011-9496-z

By:

Demir-Kavuk, Ozgur;
Bentzien, Jörg;
Muegge, Ingo;
Knapp, Ernst-Walter

Publication type:

Article

Qualitative prediction of blood-brain barrier permeability on a large and refined dataset.

Published in:

Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 12, p. 1095, doi. 10.1007/s10822-011-9478-1

By:

Muehlbacher, Markus;
Spitzer, Gudrun;
Liedl, Klaus;
Kornhuber, Johannes

Publication type:

Article

Some findings relevant to the mechanistic interpretation in the case of predictive models for carcinogenicity based on the counter propagation artificial neural network.

Published in:

Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 12, p. 1159, doi. 10.1007/s10822-011-9500-7

By:

Fjodorova, Natalja;
Novič, Marjana

Publication type:

Article

Evaluating the applicability domain in the case of classification predictive models for carcinogenicity based on the counter propagation artificial neural network.

Published in:

Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 12, p. 1147, doi. 10.1007/s10822-011-9499-9

By:

Fjodorova, Natalja;
Novič, Marjana;
Roncaglioni, Alessandra;
Benfenati, Emilio

Publication type:

Article

Novel inhibitors to Taenia solium Cu/Zn superoxide dismutase identified by virtual screening.

Published in:

Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 12, p. 1135, doi. 10.1007/s10822-011-9498-x

By:

García-Gutiérrez, P.;
Landa-Piedra, A.;
Rodríguez-Romero, A.;
Parra-Unda, R.;
Rojo-Domínguez, A.

Publication type:

Article

Druggability of methyl-lysine binding sites.

Published in:

Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 12, p. 1171, doi. 10.1007/s10822-011-9505-2

By:

Santiago, C.;
Nguyen, K.;
Schapira, M.

Publication type:

Article