Practical modeling of molecular systems with symmetries.
- Published in:
- Journal of Computational Chemistry, 2010, v. 31, n. 9, p. 1799, doi. 10.1002/jcc.21434
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2010 AND VI 31 AND IP 9
Results: 16
1
2
Bonding, aromaticity, and structure of trigonal dianion metal clusters.
- Published in:
- Journal of Computational Chemistry, 2010, v. 31, n. 9, p. 1815, doi. 10.1002/jcc.21452
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- Publication type:
- Article
3
Investigation of binding features: Effects on the interaction between CYP2A6 and inhibitors.
- Published in:
- Journal of Computational Chemistry, 2010, v. 31, n. 9, p. 1822, doi. 10.1002/jcc.21455
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- Publication type:
- Article
4
Novel graph distance matrix.
- Published in:
- Journal of Computational Chemistry, 2010, v. 31, n. 9, p. 1832, doi. 10.1002/jcc.21461
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- Publication type:
- Article
5
A first principle study of the structural, vibrational and electronic properties of tetrathiafulvalene adsorbed on Ag(110) and Au(110) surfaces.
- Published in:
- Journal of Computational Chemistry, 2010, v. 31, n. 9, p. 1842, doi. 10.1002/jcc.21465
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- Publication type:
- Article
6
A model study of the efficiency of the Asp–His–Ser triad.
- Published in:
- Journal of Computational Chemistry, 2010, v. 31, n. 9, p. 1853, doi. 10.1002/jcc.21470
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- Publication type:
- Article
7
Calculation of chemical reaction energies using the AM05 density functional.
- Published in:
- Journal of Computational Chemistry, 2010, v. 31, n. 9, p. 1860, doi. 10.1002/jcc.21472
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- Publication type:
- Article
8
Force field-dependant structural divergence revealed during long time simulations of Calbindin d9k.
- Published in:
- Journal of Computational Chemistry, 2010, v. 31, n. 9, p. 1864, doi. 10.1002/jcc.21473
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- Publication type:
- Article
9
Polymer conformations in internal (polyspherical) coordinates.
- Published in:
- Journal of Computational Chemistry, 2010, v. 31, n. 9, p. 1873, doi. 10.1002/jcc.21474
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- Publication type:
- Article
10
Polymer dynamics in torsion space.
- Published in:
- Journal of Computational Chemistry, 2010, v. 31, n. 9, p. 1882, doi. 10.1002/jcc.21475
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- Publication type:
- Article
11
Polypeptide folding on a conformational-space network: Dependence of network topology on the structural discretization procedure.
- Published in:
- Journal of Computational Chemistry, 2010, v. 31, n. 9, p. 1889, doi. 10.1002/jcc.21476
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- Publication type:
- Article
12
Phase stability and mechanical properties of rhenium borides by first-principles calculations.
- Published in:
- Journal of Computational Chemistry, 2010, v. 31, n. 9, p. 1904, doi. 10.1002/jcc.21477
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- Publication type:
- Article
13
A new Lamarckian genetic algorithm for flexible ligand-receptor docking.
- Published in:
- Journal of Computational Chemistry, 2010, v. 31, n. 9, p. 1911, doi. 10.1002/jcc.21478
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- Publication type:
- Article
14
Protein-protein docking by shape-complementarity and property matching.
- Published in:
- Journal of Computational Chemistry, 2010, v. 31, n. 9, p. 1919, doi. 10.1002/jcc.21479
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- Publication type:
- Article
15
Flexible protein-protein docking based on Best-First search algorithm.
- Published in:
- Journal of Computational Chemistry, 2010, v. 31, n. 9, p. 1929, doi. 10.1002/jcc.21480
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- Publication type:
- Article
16
Half metallic properties of LaSrVMoO<sub>6</sub>.
- Published in:
- Journal of Computational Chemistry, 2010, v. 31, n. 9, p. 1795, doi. 10.1002/jcc.21499
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- Publication type:
- Article