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Works matching IS 0920654X AND DT 2019 AND VI 33 AND IP 9

Results: 6

1

www.3d-qsar.com: a web portal that brings 3-D QSAR to all electronic devices—the Py-CoMFA web application as tool to build models from pre-aligned datasets.

Published in:

Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 9, p. 855, doi. 10.1007/s10822-019-00231-x

By:

Ragno, Rino

Publication type:

Article

2

Repurposing of known drugs for leishmaniasis treatment using bioinformatic predictions, in vitro validations and pharmacokinetic simulations.

Published in:

Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 9, p. 845, doi. 10.1007/s10822-019-00230-y

By:

Bustamante, Christian;
Ochoa, Rodrigo;
Asela, Claudia;
Muskus, Carlos

Publication type:

Article

3

Network-based piecewise linear regression for QSAR modelling.

Published in:

Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 9, p. 831, doi. 10.1007/s10822-019-00228-6

By:

Cardoso-Silva, Jonathan;
Papageorgiou, Lazaros G.;
Tsoka, Sophia

Publication type:

Article

4

Assessing and improving the performance of consensus docking strategies using the DockBox package.

Published in:

Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 9, p. 817, doi. 10.1007/s10822-019-00227-7

By:

Preto, Jordane;
Gentile, Francesco

Publication type:

Article

5

Discovery of a nanomolar inhibitor of the human glyoxalase-I enzyme using structure-based poly-pharmacophore modelling and molecular docking.

Published in:

Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 9, p. 799, doi. 10.1007/s10822-019-00226-8

By:

Al-Shar'i, Nizar A.;
Al-Balas, Qosay A.;
Al-Waqfi, Rand A.;
Hassan, Mohammad A.;
Alkhalifa, Amer E.;
Ayoub, Nehad M.

Publication type:

Article

6

The role of water and protein flexibility in the structure-based virtual screening of allosteric GPCR modulators: an mGlu<sub>5</sub> receptor case study.

Published in:

Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 9, p. 787, doi. 10.1007/s10822-019-00224-w

By:

Orgován, Zoltán;
Ferenczy, György G.;
Keserű, György M.

Publication type:

Article