Using support vector machine to predict β- and γ-turns in proteins.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 12, p. 1867, doi. 10.1002/jcc.20929
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2008 AND VI 29 AND IP 12
Results: 18
1
2
Extension of adaptive tree code and fast multipole methods to high angular momentum particle charge densities.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 12, p. 1895, doi. 10.1002/jcc.20946
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- Publication type:
- Article
3
Ion flux through membrane channels—An enhanced algorithm for the Poisson-Nernst-Planck model.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 12, p. 1876, doi. 10.1002/jcc.20947
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- Publication type:
- Article
4
Time-dependent quantum study of the kinetics of the H(<sup>2</sup>S) + FO(<sup>2</sup>II) → OH(<sup>2</sup>II) + F(<sup>2</sup>P) reaction.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 12, p. 1889, doi. 10.1002/jcc.20948
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- Publication type:
- Article
5
Theoretical investigation of anthracene-9,10-endoperoxide vertical singlet and triplet excitation spectra.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 12, p. 1982, doi. 10.1002/jcc.20949
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- Publication type:
- Article
6
Simulations of proteins with inhomogeneous degrees of freedom: The effect of thermostats.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 12, p. 1992, doi. 10.1002/jcc.20951
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- Publication type:
- Article
7
Induction correction model for rotation of two or three dihedral angles.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 12, p. 1905, doi. 10.1002/jcc.20952
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- Publication type:
- Article
8
The Poisson-Boltzmann model for tRNA: Assessment of the calculation set-up and ionic concentration cutoff.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 12, p. 1970, doi. 10.1002/jcc.20953
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- Publication type:
- Article
9
Energy-based prediction of amino acid-nucleotide base recognition.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 12, p. 1955, doi. 10.1002/jcc.20954
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- Publication type:
- Article
10
Ab initio protein structure prediction with force field parameters derived from water-phase quantum chemical calculation.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 12, p. 1930, doi. 10.1002/jcc.20963
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- Publication type:
- Article
11
Using grey dynamic modeling and pseudo amino acid composition to predict protein structural classes.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 12, p. 2018, doi. 10.1002/jcc.20955
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- Publication type:
- Article
12
Time-dependent density functional theory study on hydrogen-bonded intramolecular charge-transfer excited state of 4-dimethylamino-benzonitrile in methanol.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 12, p. 2010, doi. 10.1002/jcc.20957
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- Publication type:
- Article
13
Theoretical studies on pyridoxal 5′-phosphate-dependent transamination of α-amino acids.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 12, p. 1919, doi. 10.1002/jcc.20958
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- Publication type:
- Article
14
Stereoelectronic properties of spiroquinazolinones in differential PDE7 inhibitory activity.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 12, p. 1945, doi. 10.1002/jcc.20960
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- Publication type:
- Article
15
Development of glycyl radical parameters for the OPLS-AA/L force field.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 12, p. 1999, doi. 10.1002/jcc.20962
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- Publication type:
- Article
16
Efficient free energy calculation of water across lipid membranes.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 12, p. 1912, doi. 10.1002/jcc.20956
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- Publication type:
- Article
17
Effects of electron attachment on C<sub>5′</sub>&bond;O<sub>5′</sub> and C<sub>1′</sub>&bond;N<sub>1</sub> bond cleavages of pyrimidine nucleotides: A theoretical study.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 12, p. 2025, doi. 10.1002/jcc.20967
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- Publication type:
- Article
18
Inclusion of the quadrupole moment when describing polarization. The effect of the dipole-quadrupole polarizability.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 12, p. 2033, doi. 10.1002/jcc.20976
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- Publication type:
- Article