Algorithm for normal mode analysis with general internal coordinates.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 7, p. 826
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2003 AND VI 24 AND IP 7
Results: 11
1
2
8-oxoguanine lesioned B-DNA molecule complexed with repair enzyme hOGG1: A molecular dynamics study.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 7, p. 898
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- Publication type:
- Article
3
Inverse Monte Carlo procedure for conformation determination of macromolecules.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 7, p. 876
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- Publication type:
- Article
4
Comparative studies of quasi-relativistic density functional methods for the description of lanthanide and actinide complexes.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 7, p. 850
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- Publication type:
- Article
5
Novel topological index for research on structure-property relationships of complex organic compounds.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 7, p. 842
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- Publication type:
- Article
6
Polarized basis sets of Slater-type orbitals: H to Ne atoms.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 7, p. 859
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- Publication type:
- Article
7
Structures and energies of D-galactose and galabiose conformers as calculated by ab initio and semiempirical methods.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 7, p. 806
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- Publication type:
- Article
8
Packing optimization for automated generation of complex system's initial configurations for molecular dynamics and docking.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 7, p. 819
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- Publication type:
- Article
9
Predicting structural models for silicon clusters.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 7, p. 869
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- Publication type:
- Article
10
Theoretical study of the interaction between a high-valent manganese porphyrin oxyl-(hydroxo)-Mn(IV)-TMPyP and double-stranded DNA.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 7, p. 797
- By:
- Publication type:
- Article
11
Selective descriptor pruning for QSAR/QSPR studies using artificial neural networks.
- Published in:
- Journal of Computational Chemistry, 2003, v. 24, n. 7, p. 891
- By:
- Publication type:
- Article