Works matching IS 01928651 AND DT 2009 AND VI 30 AND IP 1
Results: 17
Ab-initio multireference study of an organic mixed-valence Spiro molecular system.
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- Journal of Computational Chemistry, 2009, v. 30, n. 1, p. 83, doi. 10.1002/jcc.20982
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Molecular modeling of A<sub>1</sub> and A<sub>2A</sub> adenosine receptors: Comparison of rhodopsin- and β<sub>2</sub>-adrenergic-based homology models through the docking studies.
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- Journal of Computational Chemistry, 2009, v. 30, n. 1, p. 14, doi. 10.1002/jcc.21001
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Hydrodynamic modeling of diffusion tensor properties of flexible molecules.
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- Journal of Computational Chemistry, 2009, v. 30, n. 1, p. 2, doi. 10.1002/jcc.21007
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Noncovalent interactions in supramolecular complexes: A study on corannulene and the double concave buckycatcher.
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- Journal of Computational Chemistry, 2009, v. 30, n. 1, p. 51, doi. 10.1002/jcc.21022
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HIV-1 protease cleavage site prediction based on amino acid property.
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- Journal of Computational Chemistry, 2009, v. 30, n. 1, p. 33, doi. 10.1002/jcc.21024
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Fragment Molecular Orbital method-based Molecular Dynamics (FMO-MD) as a simulator for chemical reactions in explicit solvation.
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- Journal of Computational Chemistry, 2009, v. 30, n. 1, p. 40, doi. 10.1002/jcc.21025
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Kick: Constraining a stochastic search procedure with molecular fragments.
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- Journal of Computational Chemistry, 2009, v. 30, n. 1, p. 57, doi. 10.1002/jcc.21026
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Accurate solution of multi-region continuum biomolecule electrostatic problems using the linearized Poisson–Boltzmann equation with curved boundary elements.
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- Journal of Computational Chemistry, 2009, v. 30, n. 1, p. 132, doi. 10.1002/jcc.21027
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On relativistic effects in ground state potential curves of Zn<sub>2</sub>, Cd<sub>2</sub>, and Hg<sub>2</sub> dimers. A CCSD(T) study.
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- Journal of Computational Chemistry, 2009, v. 30, n. 1, p. 65, doi. 10.1002/jcc.21030
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Interplay between anion-π and hydrogen bonding interactions.
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- Journal of Computational Chemistry, 2009, v. 30, n. 1, p. 75, doi. 10.1002/jcc.21031
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Steric repulsions, rotation barriers, and stereoelectronic effects: A real space perspective.
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- Journal of Computational Chemistry, 2009, v. 30, n. 1, p. 98, doi. 10.1002/jcc.21034
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Application of MDGRAPE-3, a special purpose board for molecular dynamics simulations, to periodic biomolecular systems.
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- Journal of Computational Chemistry, 2009, v. 30, n. 1, p. 110, doi. 10.1002/jcc.21035
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Force-field parameters for the simulation of tetrahedral intermediates of serine hydrolases.
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- Journal of Computational Chemistry, 2009, v. 30, n. 1, p. 154, doi. 10.1002/jcc.21037
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An ant colony pairwise alignment based on the dot plots.
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- Journal of Computational Chemistry, 2009, v. 30, n. 1, p. 93, doi. 10.1002/jcc.21039
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Quantum chemical modeling of photoadsorption properties of the nitrogen-vacancy point defect in diamond.
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- Journal of Computational Chemistry, 2009, v. 30, n. 1, p. 119, doi. 10.1002/jcc.21042
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- Article
Prediction of integral membrane protein type by collocated hydrophobic amino acid pairs.
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- Journal of Computational Chemistry, 2009, v. 30, n. 1, p. 163, doi. 10.1002/jcc.21053
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Editors' note.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 1, p. 1, doi. 10.1002/jcc.21184
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- Article