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Works matching IS 0920654X AND DT 2016 AND VI 30 AND IP 6

Results: 5

1

Binding mode similarity measures for ranking of docking poses: a case study on the adenosine A receptor.

Published in:

Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 6, p. 447, doi. 10.1007/s10822-016-9918-z

By:

Anighoro, Andrew;
Bajorath, Jürgen

Publication type:

Article

2

Molecular dynamics simulations and structure-based network analysis reveal structural and functional aspects of G-protein coupled receptor dimer interactions.

Published in:

Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 6, p. 489, doi. 10.1007/s10822-016-9919-y

By:

Baltoumas, Fotis;
Theodoropoulou, Margarita;
Hamodrakas, Stavros

Publication type:

Article

3

Computational study of the inhibitory mechanism of the kinase CDK5 hyperactivity by peptide p5 and derivation of a pharmacophore.

Published in:

Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 6, p. 513, doi. 10.1007/s10822-016-9922-3

By:

Cardone, A.;
Brady, M.;
Sriram, R.;
Pant, H.;
Hassan, S.

Publication type:

Article

4

A pose prediction approach based on ligand 3D shape similarity.

Published in:

Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 6, p. 457, doi. 10.1007/s10822-016-9923-2

By:

Kumar, Ashutosh;
Zhang, Kam

Publication type:

Article

5

Rapid activity prediction of HIV-1 integrase inhibitors: harnessing docking energetic components for empirical scoring by chemometric and artificial neural network approaches.

Published in:

Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 6, p. 471, doi. 10.1007/s10822-016-9917-0

By:

Thangsunan, Patcharapong;
Kittiwachana, Sila;
Meepowpan, Puttinan;
Kungwan, Nawee;
Prangkio, Panchika;
Hannongbua, Supa;
Suree, Nuttee

Publication type:

Article