RNACluster: An integrated tool for RNA secondary structure comparison and clustering.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 9, p. 1517, doi. 10.1002/jcc.20911
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2008 AND VI 29 AND IP 9
Results: 17
1
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Ab initio determination of the flexibility of 2′-aminoribonucleosides and 2′-aminoarabinonucleosides inserted in duplexes.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 9, p. 1353, doi. 10.1002/jcc.20890
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- Article
3
Structure and bonding in binuclear metal carbonyls from the analysis of domain averaged Fermi holes. I. Fe<sub>2</sub>(CO)<sub>9</sub> and Co<sub>2</sub>(CO)<sub>8</sub>.
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- Journal of Computational Chemistry, 2008, v. 29, n. 9, p. 1387, doi. 10.1002/jcc.20894
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- Article
4
How stable is a collagen triple helix? An ab initio study on various collagen and β-sheet forming sequences.
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- Journal of Computational Chemistry, 2008, v. 29, n. 9, p. 1374, doi. 10.1002/jcc.20896
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- Article
5
Soft energy function and generic evolutionary method for discriminating native from nonnative protein conformations.
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- Journal of Computational Chemistry, 2008, v. 29, n. 9, p. 1364, doi. 10.1002/jcc.20897
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- Article
6
A reactive bond orbital investigation of the Diels-Alder reaction between 1,3-butadiene and ethylene: Energy decomposition, state correlation diagram, and electron density analyses.
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- Journal of Computational Chemistry, 2008, v. 29, n. 9, p. 1399, doi. 10.1002/jcc.20899
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- Article
7
Efficient model chemistries for peptides. I. General framework and a study of the heterolevel approximation in RHF and MP2 with Pople split-valence basis sets.
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- Journal of Computational Chemistry, 2008, v. 29, n. 9, p. 1408, doi. 10.1002/jcc.20900
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- Article
8
Retrieval of spectral and dynamic properties from two-dimensional infrared pump-probe experiments.
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- Journal of Computational Chemistry, 2008, v. 29, n. 9, p. 1507, doi. 10.1002/jcc.20901
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- Article
9
Coarse-grained force field for the nucleosome from self-consistent multiscaling.
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- Journal of Computational Chemistry, 2008, v. 29, n. 9, p. 1429, doi. 10.1002/jcc.20902
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- Article
10
DFT study of the cryptand and benzocryptand and their complexes with alkali metal cations: Li<sup>+</sup>, Na<sup>+</sup>, K<sup>+</sup>.
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- Journal of Computational Chemistry, 2008, v. 29, n. 9, p. 1423, doi. 10.1002/jcc.20903
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- Article
11
Advancing beyond charge analysis using the electronic localization function: Chemically intuitive distribution of electrostatic moments.
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- Journal of Computational Chemistry, 2008, v. 29, n. 9, p. 1440, doi. 10.1002/jcc.20904
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- Article
12
The calculation of static polarizabilities of 1-3D periodic compounds. the implementation in the crystal code.
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- Journal of Computational Chemistry, 2008, v. 29, n. 9, p. 1450, doi. 10.1002/jcc.20905
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- Article
13
Fast procedure for reconstruction of full-atom protein models from reduced representations.
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- Journal of Computational Chemistry, 2008, v. 29, n. 9, p. 1460, doi. 10.1002/jcc.20906
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- Article
14
The effect of electron correlation on the conformational space of melatonin.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 9, p. 1466, doi. 10.1002/jcc.20907
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- Publication type:
- Article
15
Collective motions of rigid fragments in protein structures from smoothed electron density distributions.
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- Journal of Computational Chemistry, 2008, v. 29, n. 9, p. 1472, doi. 10.1002/jcc.20908
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- Publication type:
- Article
16
Blue shifts of the C&bond;H stretching vibrations in hydrogen-bonded and protonated trimethylamine. Effect of hyperconjugation on bond properties.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 9, p. 1490, doi. 10.1002/jcc.20910
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- Publication type:
- Article
17
Associative versus dissociative binding of CO to 4d transition metal trimers: A density functional study.
- Published in:
- Journal of Computational Chemistry, 2008, v. 29, n. 9, p. 1497, doi. 10.1002/jcc.20912
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- Publication type:
- Article