Works in Journal of Computer-Aided Molecular Design, 2011, Vol 25, Issue 9
Results: 8
Protein Data Bank Japan (PDBj): an interview with Haruki Nakamura of Osaka University.
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- 2011
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- Publication type:
- Interview
Computational investigation of the binding mode of bis(hydroxylphenyl)arenes in 17β-HSD1: molecular dynamics simulations, MM-PBSA free energy calculations, and molecular electrostatic potential maps.
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- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 9, p. 795, doi. 10.1007/s10822-011-9464-7
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- Publication type:
- Article
VSDMIP 1.5: an automated structure- and ligand-based virtual screening platform with a PyMOL graphical user interface.
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- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 9, p. 813, doi. 10.1007/s10822-011-9465-6
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- Publication type:
- Article
Substrate binding to mammalian 15-lipoxygenase.
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- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 9, p. 825, doi. 10.1007/s10822-011-9466-5
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- Publication type:
- Article
Mixed learning algorithms and features ensemble in hepatotoxicity prediction.
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- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 9, p. 855, doi. 10.1007/s10822-011-9468-3
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- Publication type:
- Article
Fragment-based prediction of skin sensitization using recursive partitioning.
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- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 9, p. 885, doi. 10.1007/s10822-011-9472-7
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- Publication type:
- Article
Conformational analysis of the ΜΒΡ (Phe) and ΜΒΡ (Tyr) peptide analogues and study of their interactions with the HLA-DR2 and human TCR receptors by using Molecular Dynamics.
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- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 9, p. 837, doi. 10.1007/s10822-011-9467-4
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- Publication type:
- Article
Distinct functional and conformational states of the human lymphoid tyrosine phosphatase catalytic domain can be targeted by choice of the inhibitor chemotype.
- Published in:
- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 9, p. 873, doi. 10.1007/s10822-011-9469-2
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- Publication type:
- Article