Effects of nanoparticles on the compatibility of PEO-PMMA block copolymers.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 12, p. 3027, doi. 10.1007/s00894-011-0995-6
- By:
- Publication type:
- Article
Works matching IS 16102940 AND DT 2011 AND VI 17 AND IP 12
Results: 28
1
2
Structure and electronic properties of Alq3 derivatives with electron acceptor/donor groups at the C4 positions of the quinolate ligands: a theoretical study.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 12, p. 3039, doi. 10.1007/s00894-011-1014-7
- By:
- Publication type:
- Article
3
Prediction of a new surface binding pocket and evaluation of inhibitors against huntingtin interacting protein 14: an insight using docking studies.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 12, p. 3047, doi. 10.1007/s00894-011-1005-8
- By:
- Publication type:
- Article
4
High pressure phase transition and elastic properties of covalent heavy rare-earth Antimonides.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 12, p. 3057, doi. 10.1007/s00894-011-0980-0
- By:
- Publication type:
- Article
5
In silico identification of viper phospholipaseA2 inhibitors: validation by in vitro, in vivo studies.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 12, p. 3063, doi. 10.1007/s00894-011-0994-7
- By:
- Publication type:
- Article
6
Integrative computational protocol for the discovery of inhibitors of the Helicobacter pylori nickel response regulator (NikR).
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 12, p. 3075, doi. 10.1007/s00894-011-0962-2
- By:
- Publication type:
- Article
7
Quantum-chemical study of interactions of trans-resveratrol with guanine-thymine dinucleotide and DNA-nucleobases.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 12, p. 3085, doi. 10.1007/s00894-011-0999-2
- By:
- Publication type:
- Article
8
Long range molecular dynamics study of regulation of eukaryotic glucosamine-6-phosphate synthase activity by UDP-GlcNAc.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 12, p. 3103, doi. 10.1007/s00894-011-1003-x
- By:
- Publication type:
- Article
9
Effect of metal Ions (Ni, Cu and Zn) and water coordination on the structure of L-phenylalanine, L-tyrosine, L-tryptophan and their zwitterionic forms.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 12, p. 3117, doi. 10.1007/s00894-011-1000-0
- By:
- Publication type:
- Article
10
Molecular dynamics simulation of the Staphylococcus aureus YsxC protein: molecular insights into ribosome assembly and allosteric inhibition of the protein.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 12, p. 3129, doi. 10.1007/s00894-011-0998-3
- By:
- Publication type:
- Article
11
A theoretical thermodynamic investigation of cascade reactions in dinuclear octa-azacryptates involving carbon dioxide.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 12, p. 3151, doi. 10.1007/s00894-011-0965-z
- By:
- Publication type:
- Article
12
Atomistic modeling of parylene-metal interactions for surface micro-structuring.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 12, p. 3219, doi. 10.1007/s00894-011-0996-5
- By:
- Publication type:
- Article
13
Complexation of alkali metal cations by crown-ether type podands with applications in solvent extraction: insights from quantum chemical calculations.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 12, p. 3275, doi. 10.1007/s00894-011-1004-9
- By:
- Publication type:
- Article
14
A combined molecular modeling study on a series of pyrazole/isoxazole based human Hsp90α inhibitors.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 12, p. 3241, doi. 10.1007/s00894-011-1011-x
- By:
- Publication type:
- Article
15
Aromaticity and kinetic stability of fullerene C isomers and their molecular ions.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 12, p. 3257, doi. 10.1007/s00894-011-1012-9
- By:
- Publication type:
- Article
16
Designing molecular devices by altering bond lengths.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 12, p. 3251, doi. 10.1007/s00894-011-1013-8
- By:
- Publication type:
- Article
17
Study of protein complexes via homology modeling, applied to cysteine proteases and their protein inhibitors.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 12, p. 3163, doi. 10.1007/s00894-011-0990-y
- By:
- Publication type:
- Article
18
Theoretical mechanistic study of the reaction of the methylidyne radical with methylacetylene.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 12, p. 3173, doi. 10.1007/s00894-011-0979-6
- By:
- Publication type:
- Article
19
Aggregation of Kanamycin A: dimer formation with physiological cations.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 12, p. 3195, doi. 10.1007/s00894-011-0983-x
- By:
- Publication type:
- Article
20
Exploration of the binding mode of α/β-type small acid soluble proteins (SASPs) with DNA.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 12, p. 3183, doi. 10.1007/s00894-011-1007-6
- By:
- Publication type:
- Article
21
Formation of the Vilsmeier-Haack complex: the performance of different levels of theory.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 12, p. 3209, doi. 10.1007/s00894-010-0941-z
- By:
- Publication type:
- Article
22
Localization and anharmonicity of the vibrational modes for GC Watson-Crick and Hoogsteen base pairs.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 12, p. 3265, doi. 10.1007/s00894-011-1002-y
- By:
- Publication type:
- Article
23
Consequence of one-electron oxidation and one-electron reduction for aniline.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 12, p. 3229, doi. 10.1007/s00894-011-1001-z
- By:
- Publication type:
- Article
24
Probing C chemical shielding tensors in cryptolepine and two bromo-substituted analogs for antiplasmodial activity.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 12, p. 3289, doi. 10.1007/s00894-011-1009-4
- By:
- Publication type:
- Article
25
Adsorption and spin state properties of Cr, Ni, Mo, and Pt deposited on Li and Na monovalent cation impurities of MgO (001) surface: DFT calculations.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 12, p. 3299, doi. 10.1007/s00894-011-1017-4
- By:
- Publication type:
- Article
26
Halogen bond tunability I: the effects of aromatic fluorine substitution on the strengths of halogen-bonding interactions involving chlorine, bromine, and iodine.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 12, p. 3309, doi. 10.1007/s00894-011-1015-6
- By:
- Publication type:
- Article
27
Analytical evaluation of Coulomb potential generated by multielectron molecule at arbitrary positions in space using one-range addition theorems of Slater type orbitals.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 12, p. 3319, doi. 10.1007/s00894-011-1027-2
- By:
- Publication type:
- Article
28
Homology modeling and in silico screening of inhibitors for the substrate binding domain of human Siah2: implications for hypoxia-induced cancers.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 12, p. 3325, doi. 10.1007/s00894-011-1025-4
- By:
- Publication type:
- Article