Works matching IS 01928651 AND DT 2010 AND VI 31 AND IP 9
Results: 16
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
- By:
- Publication type:
- Article
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
- By:
- Publication type:
- Article
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
- By:
- Publication type:
- Article
Novel graph distance matrix.
- Published in:
- Journal of Computational Chemistry, 2010, v. 31, n. 9, p. 1832, doi. 10.1002/jcc.21461
- By:
- Publication type:
- Article
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
- By:
- Publication type:
- Article
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
- By:
- Publication type:
- Article
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
- By:
- Publication type:
- Article
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
- By:
- Publication type:
- Article
Polymer conformations in internal (polyspherical) coordinates.
- Published in:
- Journal of Computational Chemistry, 2010, v. 31, n. 9, p. 1873, doi. 10.1002/jcc.21474
- By:
- Publication type:
- Article
Polymer dynamics in torsion space.
- Published in:
- Journal of Computational Chemistry, 2010, v. 31, n. 9, p. 1882, doi. 10.1002/jcc.21475
- By:
- Publication type:
- Article
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
- By:
- Publication type:
- Article
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
- By:
- Publication type:
- Article
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
- By:
- Publication type:
- Article
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
- By:
- Publication type:
- Article
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
- By:
- Publication type:
- Article
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
- By:
- Publication type:
- Article