Works matching IS 17590876 AND DT 2011 AND VI 1 AND IP 2
Results: 11
Similarity searching.
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- WIREs: Computational Molecular Science, 2011, v. 1, n. 2, p. 260, doi. 10.1002/wcms.23
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Mixed quantum mechanics and molecular mechanics methods: Looking inside proteins.
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- WIREs: Computational Molecular Science, 2011, v. 1, n. 2, p. 315, doi. 10.1002/wcms.27
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Rotational barriers in alkanes.
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- WIREs: Computational Molecular Science, 2011, v. 1, n. 2, p. 164, doi. 10.1002/wcms.22
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Low-resolution structural approaches to study biomolecular assemblies.
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- WIREs: Computational Molecular Science, 2011, v. 1, n. 2, p. 283, doi. 10.1002/wcms.15
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The electrostatic potential: an overview.
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- WIREs: Computational Molecular Science, 2011, v. 1, n. 2, p. 153, doi. 10.1002/wcms.19
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Columbus-a program system for advanced multireference theory calculations.
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- WIREs: Computational Molecular Science, 2011, v. 1, n. 2, p. 191, doi. 10.1002/wcms.25
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Outstanding challenges in protein-ligand docking and structure-based virtual screening.
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- WIREs: Computational Molecular Science, 2011, v. 1, n. 2, p. 229, doi. 10.1002/wcms.18
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Receptor flexibility in small-molecule docking calculations.
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- WIREs: Computational Molecular Science, 2011, v. 1, n. 2, p. 298, doi. 10.1002/wcms.29
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The Cope rearrangement-the first born of a great family.
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- WIREs: Computational Molecular Science, 2011, v. 1, n. 2, p. 172, doi. 10.1002/wcms.17
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Pseudopotentials and modelpotentials.
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- WIREs: Computational Molecular Science, 2011, v. 1, n. 2, p. 200, doi. 10.1002/wcms.28
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Density functional theory with London dispersion corrections.
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- WIREs: Computational Molecular Science, 2011, v. 1, n. 2, p. 211, doi. 10.1002/wcms.30
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