| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A combined molecular modeling study on a series of pyrazole/isoxazole based human Hsp90α inhibitors
|
Yang, Ying
|
|
2011
|
17 |
12 |
p. 3241-3250
|
artikel
|
| 2 |
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
|
Shalabi, Ahmad S.
|
|
2011
|
17 |
12 |
p. 3299-3308
|
artikel
|
| 3 |
Aggregation of Kanamycin A: dimer formation with physiological cations
|
Dieterich, Johannes M.
|
|
2011
|
17 |
12 |
p. 3195-3207
|
artikel
|
| 4 |
Analytical evaluation of Coulomb potential generated by multielectron molecule at arbitrary positions in space using one-range addition theorems of Slater type orbitals
|
Guseinov, Israfil I.
|
|
2011
|
17 |
12 |
p. 3319-3323
|
artikel
|
| 5 |
Aromaticity and kinetic stability of fullerene C36 isomers and their molecular ions
|
Kerim, Ablikim
|
|
2011
|
17 |
12 |
p. 3257-3263
|
artikel
|
| 6 |
A theoretical thermodynamic investigation of cascade reactions in dinuclear octa-azacryptates involving carbon dioxide
|
El-Hendawy, Morad M.
|
|
2011
|
17 |
12 |
p. 3151-3162
|
artikel
|
| 7 |
Atomistic modeling of parylene-metal interactions for surface micro-structuring
|
Vasenkov, Alex V.
|
|
2011
|
17 |
12 |
p. 3219-3228
|
artikel
|
| 8 |
Complexation of alkali metal cations by crown-ether type podands with applications in solvent extraction: insights from quantum chemical calculations
|
Valente, Mário
|
|
2011
|
17 |
12 |
p. 3275-3288
|
artikel
|
| 9 |
Consequence of one-electron oxidation and one-electron reduction for aniline
|
Raczyńska, Ewa D.
|
|
2011
|
17 |
12 |
p. 3229-3239
|
artikel
|
| 10 |
Designing molecular devices by altering bond lengths
|
Lamba, Vijay
|
|
2011
|
17 |
12 |
p. 3251-3255
|
artikel
|
| 11 |
Effect of metal Ions (Ni2+, Cu2+ and Zn2+) and water coordination on the structure of L-phenylalanine, L-tyrosine, L-tryptophan and their zwitterionic forms
|
Remko, Milan
|
|
2011
|
17 |
12 |
p. 3117-3128
|
artikel
|
| 12 |
Effects of nanoparticles on the compatibility of PEO-PMMA block copolymers
|
Mu, Dan
|
|
2011
|
17 |
12 |
p. 3027-3038
|
artikel
|
| 13 |
Exploration of the binding mode of α/β-type small acid soluble proteins (SASPs) with DNA
|
Ge, Yan
|
|
2011
|
17 |
12 |
p. 3183-3193
|
artikel
|
| 14 |
Formation of the Vilsmeier-Haack complex: the performance of different levels of theory
|
Özpınar, Gül Altınbaş
|
|
2011
|
17 |
12 |
p. 3209-3217
|
artikel
|
| 15 |
Halogen bond tunability I: the effects of aromatic fluorine substitution on the strengths of halogen-bonding interactions involving chlorine, bromine, and iodine
|
Riley, Kevin E.
|
|
2011
|
17 |
12 |
p. 3309-3318
|
artikel
|
| 16 |
High pressure phase transition and elastic properties of covalent heavy rare-earth Antimonides
|
Bhardwaj, Purvee
|
|
2011
|
17 |
12 |
p. 3057-3062
|
artikel
|
| 17 |
Homology modeling and in silico screening of inhibitors for the substrate binding domain of human Siah2: implications for hypoxia-induced cancers
|
Anupriya, Gopalsamy
|
|
2011
|
17 |
12 |
p. 3325-3332
|
artikel
|
| 18 |
In silico identification of viper phospholipaseA2 inhibitors: validation by in vitro, in vivo studies
|
Nargotra, Amit
|
|
2011
|
17 |
12 |
p. 3063-3073
|
artikel
|
| 19 |
Integrative computational protocol for the discovery of inhibitors of the Helicobacter pylori nickel response regulator (NikR)
|
Segura-Cabrera, Aldo
|
|
2011
|
17 |
12 |
p. 3075-3084
|
artikel
|
| 20 |
Localization and anharmonicity of the vibrational modes for GC Watson–Crick and Hoogsteen base pairs
|
Bende, Attila
|
|
2011
|
17 |
12 |
p. 3265-3274
|
artikel
|
| 21 |
Long range molecular dynamics study of regulation of eukaryotic glucosamine-6-phosphate synthase activity by UDP-GlcNAc
|
Miszkiel, Aleksandra
|
|
2011
|
17 |
12 |
p. 3103-3115
|
artikel
|
| 22 |
Molecular dynamics simulation of the Staphylococcus aureus YsxC protein: molecular insights into ribosome assembly and allosteric inhibition of the protein
|
Goyal, Amit
|
|
2011
|
17 |
12 |
p. 3129-3149
|
artikel
|
| 23 |
Prediction of a new surface binding pocket and evaluation of inhibitors against huntingtin interacting protein 14: an insight using docking studies
|
Gupta, Shipra
|
|
2011
|
17 |
12 |
p. 3047-3056
|
artikel
|
| 24 |
Probing 13C chemical shielding tensors in cryptolepine and two bromo-substituted analogs for antiplasmodial activity
|
Behzadi, Hadi
|
|
2011
|
17 |
12 |
p. 3289-3297
|
artikel
|
| 25 |
Quantum-chemical study of interactions of trans-resveratrol with guanine-thymine dinucleotide and DNA-nucleobases
|
Mikulski, Damian
|
|
2011
|
17 |
12 |
p. 3085-3102
|
artikel
|
| 26 |
Structure and electronic properties of Alq3 derivatives with electron acceptor/donor groups at the C4 positions of the quinolate ligands: a theoretical study
|
Rao, Joshi Laxmikanth
|
|
2011
|
17 |
12 |
p. 3039-3046
|
artikel
|
| 27 |
Study of protein complexes via homology modeling, applied to cysteine proteases and their protein inhibitors
|
Tastan Bishop, Özlem
|
|
2011
|
17 |
12 |
p. 3163-3172
|
artikel
|
| 28 |
Theoretical mechanistic study of the reaction of the methylidyne radical with methylacetylene
|
Zhang, Lili
|
|
2011
|
17 |
12 |
p. 3173-3181
|
artikel
|
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