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Works matching IS 0920654X AND DT 2015 AND VI 29 AND IP 6

Results: 5

1

An integrated suite of modeling tools that empower scientists in structure- and property-based drug design.

Published in:

Journal of Computer-Aided Molecular Design, 2015, v. 29, n. 6, p. 511, doi. 10.1007/s10822-015-9845-4

By:

Feng, Jianwen;
Aliagas, Ignacio;
Bergeron, Philippe;
Blaney, Jeff;
Bradley, Erin;
Koehler, Michael;
Lee, Man-Ling;
Ortwine, Daniel;
Tsui, Vickie;
Wu, Johnny;
Gobbi, Alberto

Publication type:

Article

2

Furan-based benzene mono- and dicarboxylic acid derivatives as multiple inhibitors of the bacterial Mur ligases (MurC-MurF): experimental and computational characterization.

Published in:

Journal of Computer-Aided Molecular Design, 2015, v. 29, n. 6, p. 541, doi. 10.1007/s10822-015-9843-6

By:

Perdih, Andrej;
Hrast, Martina;
Pureber, Kaja;
Barreteau, Hélène;
Grdadolnik, Simona;
Kocjan, Darko;
Gobec, Stanislav;
Solmajer, Tom;
Wolber, Gerhard

Publication type:

Article

3

Knowledge-guided docking: accurate prospective prediction of bound configurations of novel ligands using Surflex-Dock.

Published in:

Journal of Computer-Aided Molecular Design, 2015, v. 29, n. 6, p. 485, doi. 10.1007/s10822-015-9846-3

By:

Cleves, Ann;
Jain, Ajay

Publication type:

Article

4

Computational and biophysical approaches to protein-protein interaction inhibition of Plasmodium falciparum AMA1/RON2 complex.

Published in:

Journal of Computer-Aided Molecular Design, 2015, v. 29, n. 6, p. 525, doi. 10.1007/s10822-015-9842-7

By:

Pihan, Emilie;
Delgadillo, Roberto;
Tonkin, Michelle;
Pugnière, Martine;
Lebrun, Maryse;
Boulanger, Martin;
Douguet, Dominique

Publication type:

Article

5

Combining docking-based comparative intermolecular contacts analysis and k-nearest neighbor correlation for the discovery of new check point kinase 1 inhibitors.

Published in:

Journal of Computer-Aided Molecular Design, 2015, v. 29, n. 6, p. 561, doi. 10.1007/s10822-015-9848-1

By:

Jaradat, Nour;
Khanfar, Mohammad;
Habash, Maha;
Taha, Mutasem

Publication type:

Article