Identification of amyloidogenic peptide sequences using a coarse-grained physicochemical model.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 4, p. 621, doi. 10.1002/jcc.21085
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2009 AND VI 30 AND IP 4
Results: 14
1
2
Simulation of DNA electrophoresis in systems of large number of solvent particles by coarse-grained hybrid molecular dynamics approach.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 4, p. 505, doi. 10.1002/jcc.21081
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- Publication type:
- Article
3
Understanding the ring current effects on magnetic shielding of hydrogen and carbon nuclei in naphthalene and anthracene.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 4, p. 551, doi. 10.1002/jcc.21083
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- Publication type:
- Article
4
MSINDO study of acid promoted dissolution of planar MgO and NiO surfaces.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 4, p. 581, doi. 10.1002/jcc.21082
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- Publication type:
- Article
5
Combined NMR three-bond scalar coupling measurements and QM calculations to calculate OH-rotamer equilibrium of polyalcohols.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 4, p. 540, doi. 10.1002/jcc.21084
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- Publication type:
- Article
6
On the direct calculation of the free energy of quantization for molecular systems in the condensed phase.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 4, p. 514, doi. 10.1002/jcc.21070
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- Publication type:
- Article
7
Theoretical studies of the reactions of CF<sub>3</sub>CHCLOCHF<sub>2</sub>/CF<sub>3</sub>CHFOCHF<sub>2</sub> with OH radical and Cl atom and their product radicals with OH.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 4, p. 565, doi. 10.1002/jcc.21079
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- Publication type:
- Article
8
Comprehensive ab initio calculation and simulation on the low-lying electronic states of TlX (X = F, Cl, Br, I, and At).
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 4, p. 524, doi. 10.1002/jcc.21080
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- Publication type:
- Article
9
Toward accurate relative energy predictions of the bioactive conformation of drugs.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 4, p. 601, doi. 10.1002/jcc.21087
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- Publication type:
- Article
10
MeTA studio: A cross platform, programmable IDE for computational chemist.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 4, p. 661, doi. 10.1002/jcc.21088
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- Publication type:
- Article
11
Conformational selection of protein kinase A revealed by flexible-ligand flexible-protein docking.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 4, p. 631, doi. 10.1002/jcc.21090
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- Publication type:
- Article
12
Refining the description of peptide backbone conformations improves protein simulations using the GROMOS 53A6 force field.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 4, p. 645, doi. 10.1002/jcc.21092
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- Publication type:
- Article
13
Comparison of some representative density functional theory and wave function theory methods for the studies of amino acids.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 4, p. 589, doi. 10.1002/jcc.21091
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- Publication type:
- Article
14
Dual-level direct dynamics studies for the reactions of OH radical with bromine-substituted ethanes.
- Published in:
- Journal of Computational Chemistry, 2009, v. 30, n. 4, p. 611, doi. 10.1002/jcc.21093
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- Publication type:
- Article