Works matching IS 0920-654X AND VI 27 AND IP 8 AND DT 2013
Results: 9
Molecular dynamics simulation and linear interaction energy study of d-Glu-based inhibitors of the MurD ligase.
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- Journal of Computer-Aided Molecular Design, 2013, v. 27, n. 8, p. 723, doi. 10.1007/s10822-013-9673-3
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Detection of tautomer proportions of dimedone in solution: a new approach based on theoretical and FT-IR viewpoint.
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- Journal of Computer-Aided Molecular Design, 2013, v. 27, n. 8, p. 681, doi. 10.1007/s10822-013-9669-z
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Automated molecule editing in molecular design.
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- Journal of Computer-Aided Molecular Design, 2013, v. 27, n. 8, p. 655, doi. 10.1007/s10822-013-9676-0
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Human farnesyl pyrophosphate synthase inhibition by nitrogen bisphosphonates: a 3D-QSAR study.
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- Journal of Computer-Aided Molecular Design, 2013, v. 27, n. 8, p. 739, doi. 10.1007/s10822-013-9674-2
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Experimental versus predicted affinities for ligand binding to estrogen receptor: iterative selection and rescoring of docked poses systematically improves the correlation.
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- Journal of Computer-Aided Molecular Design, 2013, v. 27, n. 8, p. 707, doi. 10.1007/s10822-013-9670-6
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Estimation of the size of drug-like chemical space based on GDB-17 data.
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- Journal of Computer-Aided Molecular Design, 2013, v. 27, n. 8, p. 675, doi. 10.1007/s10822-013-9672-4
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Combining fragment homology modeling with molecular dynamics aims at prediction of Ca binding sites in CaBPs.
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- Journal of Computer-Aided Molecular Design, 2013, v. 27, n. 8, p. 697, doi. 10.1007/s10822-013-9668-0
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- Article
Discover binding pathways using the sliding binding-box docking approach: application to binding pathways of oseltamivir to avian influenza H5N1 neuraminidase.
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- Journal of Computer-Aided Molecular Design, 2013, v. 27, n. 8, p. 689, doi. 10.1007/s10822-013-9675-1
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Systematic mining of analog series with related core structures in multi-target activity space.
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- Journal of Computer-Aided Molecular Design, 2013, v. 27, n. 8, p. 665, doi. 10.1007/s10822-013-9671-5
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- Article