| Nazari F, Ansari N
Theoretical insights into the trends in molecular properties of HCY, HSiY and HGeY molecules where Y = N, P, As. [JOURNAL ARTICLE]
J Mol Model 2009 Nov 19.
Abstract | Full Citation | Find Related Articles | | Berhanu WM, Mikhailov IA, Masunov AE
Are density functional theory predictions of the Raman spectra accurate enough to distinguish conformational transitions during amyloid formation? [JOURNAL ARTICLE]
J Mol Model 2009 Nov 20.
Abstract | Full Citation | | Haeffner F, Barnham KJ, Bush AI, et al.
Generation of soluble oligomeric beta-amyloid species via copper catalyzed oxidation with implications for Alzheimer's disease: A DFT study. [JOURNAL ARTICLE]
J Mol Model 2009 Nov 20.
Abstract | Full Citation | Find Related Articles | | Minisini B, Chavand S, Barthelery R, et al.
Calculations of the charge distribution in dodecyltrimethylammonium: a quantum chemical investigation. [JOURNAL ARTICLE]
J Mol Model 2009 Nov 19.
Abstract | Full Citation | Find Related Articles | | Obiol-Pardo C, Cordero A, Rubio-Martinez J, et al.
Homology modeling of Mycobacterium tuberculosis 2C-methyl-D: -erythritol-4-phosphate cytidylyltransferase, the third enzyme in the MEP pathway for isoprenoid biosynthesis. [JOURNAL ARTICLE]
J Mol Model 2009 Nov 15.
Abstract | Full Citation | Find Related Articles | | Zhou Y, Long X, Shu Y
Theoretical studies on the heats of formation, densities, and detonation properties of substituted s-tetrazine compounds. [JOURNAL ARTICLE]
J Mol Model 2009 Nov 13.
Abstract | Full Citation | Find Related Articles | | Kayi H
AM1* parameters for gold. [JOURNAL ARTICLE]
J Mol Model 2009 Nov 13.
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Binding of arachidonic acid and two flavonoid inhibitors to human 12- and 15-lipoxygenases: a steered molecular dynamics study. [JOURNAL ARTICLE]
J Mol Model 2009 Nov 13.
Abstract | Full Citation | Find Related Articles | | Al-Qattan MN, Mordi MN
Docking of sialic acid analogues against influenza A hemagglutinin: a correlational study between experimentally measured and computationally estimated affinities. [JOURNAL ARTICLE]
J Mol Model 2009 Nov 13.
Abstract | Full Citation | Find Related Articles | | Kassler K, Horn AH, Sticht H
Effect of pathogenic mutations on the structure and dynamics of Alzheimer's Abeta(42)-amyloid oligomers. [JOURNAL ARTICLE]
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