Works matching IS 0920654X AND DT 2012 AND VI 26 AND IP 11

Results: 7

Ligand-, structure- and pharmacophore-based molecular fingerprints: a case study on adenosine A, A, A, and A receptor antagonists.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 11, p. 1247, doi. 10.1007/s10822-012-9612-8

By:

Sirci, Francesco;
Goracci, Laura;
Rodríguez, David;
Muijlwijk-Koezen, Jacqueline;
Gutiérrez-de-Terán, Hugo;
Mannhold, Raimund

Publication type:

Article

Identification of tissue-specific targeting peptide.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 11, p. 1267, doi. 10.1007/s10822-012-9614-6

By:

Jung, Eunkyoung;
Lee, Nam;
Kang, Sang-Kee;
Choi, Seung-Hoon;
Kim, Daejin;
Park, Kisoo;
Choi, Kihang;
Choi, Yun-Jaie;
Jung, Dong

Publication type:

Article

Derivatives in discrete mathematics: a novel graph-theoretical invariant for generating new 2/3D molecular descriptors. I. Theory and QSPR application.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 11, p. 1229, doi. 10.1007/s10822-012-9591-9

By:

Marrero-Ponce, Yovani;
Santiago, Oscar;
López, Yoan;
Barigye, Stephen;
Torrens, Francisco

Publication type:

Article

Virtual and experimental high-throughput screening (HTS) in search of novel inosine 5′-monophosphate dehydrogenase II (IMPDH II) inhibitors.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 11, p. 1277, doi. 10.1007/s10822-012-9615-5

By:

Dunkern, Torsten;
Prabhu, Arati;
Kharkar, Prashant;
Goebel, Heike;
Rolser, Edith;
Burckhard-Boer, Waltraud;
Arumugam, Premkumar;
Makhija, Mahindra

Publication type:

Article

IADE: a system for intelligent automatic design of bioisosteric analogs.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 11, p. 1207, doi. 10.1007/s10822-012-9609-3

By:

Ertl, Peter;
Lewis, Richard

Publication type:

Article

Consensus Induced Fit Docking (cIFD): methodology, validation, and application to the discovery of novel Crm1 inhibitors.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 11, p. 1217, doi. 10.1007/s10822-012-9611-9

By:

Kalid, Ori;
Toledo Warshaviak, Dora;
Shechter, Sharon;
Sherman, Woody;
Shacham, Sharon

Publication type:

Article

Close intramolecular sulfur-oxygen contacts: modified force field parameters for improved conformation generation.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 11, p. 1195, doi. 10.1007/s10822-012-9610-x

By:

Lupyan, Dmitry;
Abramov, Yuriy;
Sherman, Woody

Publication type:

Article