Prediction of a new class of RNA recognition motif.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 8, p. 1863, doi. 10.1007/s00894-010-0888-0
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- Publication type:
- Article
Works matching IS 16102940 AND DT 2011 AND VI 17 AND IP 8
Results: 30
1
2
Lignin-derived oak phenolics: a theoretical examination of additional potential health benefits of red wine.
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- Journal of Molecular Modeling, 2011, v. 17, n. 8, p. 1841, doi. 10.1007/s00894-010-0893-3
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- Publication type:
- Article
3
A computational study of CYP3A4 mediated drug interaction profiles for anti-HIV drugs.
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- Journal of Molecular Modeling, 2011, v. 17, n. 8, p. 1847, doi. 10.1007/s00894-010-0890-6
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- Publication type:
- Article
4
Theoretical study on the interactions between methanol and imidazolium-based ionic liquids.
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- Journal of Molecular Modeling, 2011, v. 17, n. 8, p. 1997, doi. 10.1007/s00894-010-0879-1
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- Article
5
Computational study of the Na/H antiporter from Vibrio parahaemolyticus.
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- Journal of Molecular Modeling, 2011, v. 17, n. 8, p. 1877, doi. 10.1007/s00894-010-0883-5
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- Publication type:
- Article
6
Identification of novel 5-hydroxy-1 H-indole-3-carboxylates with anti-HBV activities based on 3D QSAR studies.
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- Journal of Molecular Modeling, 2011, v. 17, n. 8, p. 1831, doi. 10.1007/s00894-010-0873-7
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- Publication type:
- Article
7
Atomistic simulations of materials for optical chemical sensors: DFT-D calculations of molecular interactions between gas-phase analyte molecules and simple substrate models.
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- Journal of Molecular Modeling, 2011, v. 17, n. 8, p. 1855, doi. 10.1007/s00894-010-0882-6
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- Publication type:
- Article
8
All-electron scalar relativistic calculation of water molecule adsorption onto small gold clusters.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 8, p. 2005, doi. 10.1007/s00894-010-0910-6
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- Publication type:
- Article
9
Geometries of stacking interactions between phenanthroline ligands in crystal structures of square-planar metal complexes.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 8, p. 2083, doi. 10.1007/s00894-010-0905-3
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- Publication type:
- Article
10
Integrating molecular docking, DFT and CoMFA/CoMSIA approaches for a series of naphthoquinone fused cyclic α-aminophosphonates that act as novel topoisomerase II inhibitors.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 8, p. 1899, doi. 10.1007/s00894-010-0898-y
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- Publication type:
- Article
11
Time-dependent density functional theory study of the excited-state dihydrogen bonding: clusters of 2-pyridone with diethylmethylsilane and triethylgermanium.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 8, p. 1891, doi. 10.1007/s00894-010-0896-0
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- Publication type:
- Article
12
Probing solvation decay length in order to characterize hydrophobicity-induced bead-bead attractive interactions in polymer chains.
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- Journal of Molecular Modeling, 2011, v. 17, n. 8, p. 1911, doi. 10.1007/s00894-010-0899-x
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- Publication type:
- Article
13
Insights into scFv:drug binding using the molecular dynamics simulation and free energy calculation.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 8, p. 1919, doi. 10.1007/s00894-010-0892-4
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- Publication type:
- Article
14
Extrapolation of water and formaldehyde harmonic and anharmonic frequencies to the B3LYP/CBS limit using polarization consistent basis sets.
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- Journal of Molecular Modeling, 2011, v. 17, n. 8, p. 2029, doi. 10.1007/s00894-010-0913-3
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- Publication type:
- Article
15
Molecular modeling study of intercalation complexes of tricyclic carboxamides with d(CCGGCGCCGG) and d(CGCGAATTCGCG).
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 8, p. 2041, doi. 10.1007/s00894-010-0891-5
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- Publication type:
- Article
16
Effect of the SH3-SH2 domain linker sequence on the structure of Hck kinase.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 8, p. 1927, doi. 10.1007/s00894-010-0897-z
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- Publication type:
- Article
17
Theoretical investigations of the H···π and X (X = F, Cl, Br, I)···π complexes between hypohalous acids and benzene.
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- Journal of Molecular Modeling, 2011, v. 17, n. 8, p. 1935, doi. 10.1007/s00894-010-0906-2
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- Publication type:
- Article
18
Exploration of the binding of proton pump inhibitors to human P450 2C9 based on docking and molecular dynamics simulation.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 8, p. 1941, doi. 10.1007/s00894-010-0903-5
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- Publication type:
- Article
19
Nucleotide docking: prediction of reactant state complexes for ribonuclease enzymes.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 8, p. 1953, doi. 10.1007/s00894-010-0900-8
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- Publication type:
- Article
20
Electronic structure study using density functional theory in organic dendrimers.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 8, p. 1963, doi. 10.1007/s00894-010-0894-2
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- Publication type:
- Article
21
Computational synthesis of hydrogenated fullerenes from C to CH.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 8, p. 1973, doi. 10.1007/s00894-010-0895-1
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- Publication type:
- Article
22
Exploring a coarse-grained distributive strategy for finite-difference Poisson-Boltzmann calculations.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 8, p. 1985, doi. 10.1007/s00894-010-0904-4
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- Publication type:
- Article
23
Structural studies of biologically active glycosylated polyamidoamine (PAMAM) dendrimers.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 8, p. 2051, doi. 10.1007/s00894-010-0907-1
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- Publication type:
- Article
24
Interactions between alkaline earth cations and oxo ligands. DFT study of the affinity of the Mg cation for phosphoryl ligands.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 8, p. 2061, doi. 10.1007/s00894-010-0909-z
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- Publication type:
- Article
25
Cooperative effect of water molecules in the self-catalyzed neutral hydrolysis of isocyanic acid: a comprehensive theoretical study.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 8, p. 2069, doi. 10.1007/s00894-010-0917-z
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- Publication type:
- Article
26
A new approach for aromaticity criterion based on electrostatic field gradient.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 8, p. 2017, doi. 10.1007/s00894-010-0902-6
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- Publication type:
- Article
27
Theoretical study of the electronic properties of fluorographene.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 8, p. 2093, doi. 10.1007/s00894-010-0914-2
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- Publication type:
- Article
28
New insight into the formation mechanism of imidazolium-based halide salts.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 8, p. 2099, doi. 10.1007/s00894-010-0916-0
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- Publication type:
- Article
29
FTIR, Raman, and UV-Vis spectroscopic and DFT investigations of the structure of iron-lead-tellurate glasses.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 8, p. 2103, doi. 10.1007/s00894-010-0911-5
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- Publication type:
- Article
30
Three-dimensional quantitative structure-activity relationships of pyrrolopyridinone as cell division cycle kinase inhibitors by CoMFA and CoMSIA.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 8, p. 2113, doi. 10.1007/s00894-011-1016-5
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- Publication type:
- Article