Works matching IS 01928651 AND DT 2007 AND VI 28 AND IP 8
Results: 15
Role of binding entropy in the refinement of protein–ligand docking predictions: Analysis based on the use of 11 scoring functions.
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- Journal of Computational Chemistry, 2007, v. 28, n. 8, p. 1364, doi. 10.1002/jcc.20580
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Electron correlation: The many-body problem at the heart of chemistry.
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- Journal of Computational Chemistry, 2007, v. 28, n. 8, p. 1307, doi. 10.1002/jcc.20581
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Formation of 8-nitroguanine and 8-oxoguanine due to reactions of peroxynitrite with guanine.
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- Journal of Computational Chemistry, 2007, v. 28, n. 8, p. 1321, doi. 10.1002/jcc.20607
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Pseudopericyclic design drives antara-antara [1,5] methylene sigmatropic shifts from a stepwise to a concerted mechanism.
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- Journal of Computational Chemistry, 2007, v. 28, n. 8, p. 1411, doi. 10.1002/jcc.20620
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Linear regression model of DNA sequences and its application.
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- Journal of Computational Chemistry, 2007, v. 28, n. 8, p. 1434, doi. 10.1002/jcc.20556
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A quantum chemistry study: A new kind of boron nitrides.
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- Journal of Computational Chemistry, 2007, v. 28, n. 8, p. 1446, doi. 10.1002/jcc.20558
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Maintaining solvent accessible surface area under rotamer substitution for protein design.
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- Journal of Computational Chemistry, 2007, v. 28, n. 8, p. 1336, doi. 10.1002/jcc.20626
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Can an OH radical form a strong hydrogen bond? A theoretical comparison with H<sub>2</sub>O.
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- Journal of Computational Chemistry, 2007, v. 28, n. 8, p. 1357, doi. 10.1002/jcc.20638
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A DFT study on the dimerization of C<sub>62</sub>, H<sub>2</sub>&bond;C<sub>62</sub>, and F<sub>2</sub>&bond;C<sub>62</sub>.
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- Journal of Computational Chemistry, 2007, v. 28, n. 8, p. 1417, doi. 10.1002/jcc.20658
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Modeling the nitrogenase FeMo cofactor with high-spin Fe<sub>8</sub>S<sub>9</sub>X<sup>+</sup> (X&dbond;N, C) clusters. Is the first step for N<sub>2</sub> reduction to NH<sub>3</sub> a concerted dihydrogen transfer?
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- Journal of Computational Chemistry, 2007, v. 28, n. 8, p. 1342, doi. 10.1002/jcc.20635
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A dynamic lattice searching method with constructed core for optimization of large lennard-jones clusters.
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- Journal of Computational Chemistry, 2007, v. 28, n. 8, p. 1427, doi. 10.1002/jcc.20668
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Coarse-graining of protein structures for the normal mode studies.
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- Journal of Computational Chemistry, 2007, v. 28, n. 8, p. 1400, doi. 10.1002/jcc.20672
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Discrimination of dynamical system models for biological and chemical processes.
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- Journal of Computational Chemistry, 2007, v. 28, n. 8, p. 1384, doi. 10.1002/jcc.20674
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Molecular structures of the two most stable conformers of free glycine.
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- Journal of Computational Chemistry, 2007, v. 28, n. 8, p. 1373, doi. 10.1002/jcc.20680
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Vibrational anharmonic calculations in solution: Performance of various DFT approaches.
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- Journal of Computational Chemistry, 2007, v. 28, n. 8, p. 1456, doi. 10.1002/jcc.20693
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- Article