Using pseudo amino acid composition to predict protein structural classes: Approached with complexity measure factor.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 4, p. 478, doi. 10.1002/jcc.20354
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2006 AND VI 27 AND IP 4
Results: 14
1
2
Systematic Gaussian basis-set limit using completeness-optimized primitive sets. A case for magnetic properties.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 4, p. 434, doi. 10.1002/jcc.20358
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- Publication type:
- Article
3
New force field for calcium binding sites in annexin–membrane complexes.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 4, p. 446, doi. 10.1002/jcc.20340
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- Publication type:
- Article
4
Relativistic correlating basis sets for lanthanide atoms from Ce to Lu.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 4, p. 463, doi. 10.1002/jcc.20357
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- Publication type:
- Article
5
A new method to determine electrostatic potential around a macromolecule in solution from molecular wave functions.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 4, p. 453, doi. 10.1002/jcc.20356
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- Publication type:
- Article
6
On the reversible O<sub>2</sub> binding of the Fe–porphyrin complex.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 4, p. 426, doi. 10.1002/jcc.20339
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- Publication type:
- Article
7
An algorithm for the uniform sampling of iso-energy surfaces and for the calculation of microcanonical averages.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 4, p. 414, doi. 10.1002/jcc.20342
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- Publication type:
- Article
8
Hybrid density functional theory for π-stacking interactions: Application to benzenes, pyridines, and DNA bases.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 4, p. 491, doi. 10.1002/jcc.20363
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- Publication type:
- Article
9
A new parallel algorithm of MP2 energy calculations.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 4, p. 407, doi. 10.1002/jcc.20348
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- Publication type:
- Article
10
Thermodynamic properties of Ag<sub>2</sub>O&bond;B<sub>2</sub>O<sub>3</sub> glasses by a modified scale-transformed energy space sampling Monte Carlo method.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 4, p. 471, doi. 10.1002/jcc.20355
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- Publication type:
- Article
11
Parallelization of the deMon2k code.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 4, p. 483, doi. 10.1002/jcc.20361
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- Publication type:
- Article
12
Theoretical study on structures and stabilities of [H,Ge,C,N].
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 4, p. 505, doi. 10.1002/jcc.20364
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- Publication type:
- Article
13
On the suitability of strictly localized orbitals for hybrid QM/MM calculations.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 4, p. 515, doi. 10.1002/jcc.20366
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- Publication type:
- Article
14
A computational study of the lowest singlet and triplet states of neutral and dianionic 1,2-substituted icosahedral and octahedral o-carboranes.
- Published in:
- Journal of Computational Chemistry, 2006, v. 27, n. 4, p. 524, doi. 10.1002/jcc.20359
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- Publication type:
- Article