Self-organizing superimposition algorithm for conformational sampling.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 7, p. 1234, doi. 10.1002/jcc.20622
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2007 AND VI 28 AND IP 7
Results: 15
1
2
Vibalizer: A free, web-based tool for rapid, quantitative comparison and analysis of calculated vibrational modes.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 7, p. 1290, doi. 10.1002/jcc.20642
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- Publication type:
- Article
3
Ab initio parametrized MM3 force field for the metal-organic framework MOF-5.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 7, p. 1169, doi. 10.1002/jcc.20648
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- Publication type:
- Article
4
Gaussian induced dipole polarization model.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 7, p. 1261, doi. 10.1002/jcc.20574
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- Publication type:
- Article
5
Theoretical studies on farnesyl transferase: Evidence for thioether product coordination to the active-site zinc sphere.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 7, p. 1160, doi. 10.1002/jcc.20577
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- Publication type:
- Article
6
Aromatic-backbone interactions in model α-helical peptides.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 7, p. 1208, doi. 10.1002/jcc.20578
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- Publication type:
- Article
7
Combined DFT, QCISD(T), and G2 mechanism investigation for the reactions of carbon monophosphide CP with unsaturated hydrocarbons allene CH<sub>2</sub>CCH<sub>2</sub> and methylacetylene CH<sub>3</sub>CCH.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 7, p. 1221, doi. 10.1002/jcc.20611
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- Publication type:
- Article
8
Evaluation of coarse grained models for hydrogen bonds in proteins.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 7, p. 1187, doi. 10.1002/jcc.20619
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- Publication type:
- Article
9
Global minimum structure searches via particle swarm optimization.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 7, p. 1177, doi. 10.1002/jcc.20621
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- Publication type:
- Article
10
A semiempirical approach to the intra-phycocyanin and inter-phycocyanin fluorescence resonance energy-transfer pathways in phycobilisomes.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 7, p. 1200, doi. 10.1002/jcc.20628
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- Publication type:
- Article
11
Array files for computational chemistry: MP2 energies.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 7, p. 1215, doi. 10.1002/jcc.20630
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- Publication type:
- Article
12
Theoretical study on the Br + CH<sub>3</sub>SCH<sub>3</sub> reaction.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 7, p. 1153, doi. 10.1002/jcc.20646
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- Publication type:
- Article
13
Prediction of GFP spectral properties using artificial neural network.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 7, p. 1275, doi. 10.1002/jcc.20656
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- Publication type:
- Article
14
Effect of surrounding point charges on the density functional calculations of Ni<sub>x</sub>O<sub>x</sub> clusters (x = 4–12).
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 7, p. 1240, doi. 10.1002/jcc.20669
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- Publication type:
- Article
15
QSAR models based on isomorphic and nonisomorphic data fusion for predicting the blood brain barrier permeability.
- Published in:
- Journal of Computational Chemistry, 2007, v. 28, n. 7, p. 1252, doi. 10.1002/jcc.20671
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- Publication type:
- Article