Multiple ligand docking by Glide: implications for virtual second-site screening.
- Published in:
- Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 7, p. 821, doi. 10.1007/s10822-012-9578-6
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- Publication type:
- Article
Works matching IS 0920654X AND DT 2012 AND VI 26 AND IP 7
Results: 7
1
2
Predicting the effects of amino acid replacements in peptide hormones on their binding affinities for class B GPCRs and application to the design of secretin receptor antagonists.
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- Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 7, p. 835, doi. 10.1007/s10822-012-9574-x
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- Article
3
Understanding the molecular interactions of different radical scavengers with ribonucleotide reductase M2 (hRRM2) domain: opening the gates and gaining access.
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- Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 7, p. 865, doi. 10.1007/s10822-012-9581-y
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- Article
4
Molecular simulation and docking studies of Gal1p and Gal3p proteins in the presence and absence of ligands ATP and galactose: implication for transcriptional activation of GAL genes.
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- Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 7, p. 847, doi. 10.1007/s10822-012-9579-5
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- Article
5
Scientific workflow systems: Pipeline Pilot and KNIME.
- Published in:
- Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 7, p. 801, doi. 10.1007/s10822-012-9577-7
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- Article
6
R-group template CoMFA combines benefits of 'ad hoc' and topomer alignments using 3D-QSAR for lead optimization.
- Published in:
- Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 7, p. 805, doi. 10.1007/s10822-012-9583-9
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- Article
7
Multi-task learning for pK prediction.
- Published in:
- Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 7, p. 883, doi. 10.1007/s10822-012-9582-x
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- Publication type:
- Article