| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A comparative interplay between small heterorings and hypofluorous acids
|
Oliveira, Boaz G.
|
|
2015
|
21 |
11 |
p. 1-11
|
artikel
|
| 2 |
A piecewise lookup table for calculating nonbonded pairwise atomic interactions
|
Luo, Jinping
|
|
2015
|
21 |
11 |
p. 1-8
|
artikel
|
| 3 |
Application of polythiophene to methanol vapor detection: an ab initio study
|
Shokuhi Rad, Ali
|
|
2015
|
21 |
11 |
p. 1-6
|
artikel
|
| 4 |
Artocarpus altilis CG-901 alters critical nodes in the JH1-kinase domain of Janus kinase 2 affecting upstream JAK/STAT3 signaling
|
Nash, Oyekanmi
|
|
2015
|
21 |
11 |
p. 1-11
|
artikel
|
| 5 |
A theoretical biogenesis overview of diterpenes isolated from Salvia microphylla
|
Posada-Salgado, J. Alejandro
|
|
2015
|
21 |
11 |
p. 1-5
|
artikel
|
| 6 |
A theoretical investigation into the strength of N–NO2 bonds, ring strain and electrostatic potential upon formation of intermolecular H-bonds between HF and the nitro group in nitrogen heterocyclic rings CnH2nN–NO2 (n = 2–5), RDX and HMX
|
Wang, Bao-guo
|
|
2015
|
21 |
11 |
p. 1-11
|
artikel
|
| 7 |
Design, synthesis, and characterization of BRC4 mutants based on the crystal structure of BRC4-RAD51(191–220)
|
Zhao, Dongxin
|
|
2015
|
21 |
11 |
p. 1-7
|
artikel
|
| 8 |
Improving protein-ligand docking with flexible interfacial water molecules using SWRosettaLigand
|
Li, Linqing
|
|
2015
|
21 |
11 |
p. 1-13
|
artikel
|
| 9 |
Investigation of differences in the binding affinities of two analogous ligands for untagged and tagged p38 kinase using thermodynamic integration MD simulation
|
Sun, Ying-Chieh
|
|
2015
|
21 |
11 |
p. 1-9
|
artikel
|
| 10 |
Investigation of the antioxidant and radical scavenging activities of some phenolic Schiff bases with different free radicals
|
Marković, Zoran
|
|
2015
|
21 |
11 |
p. 1-10
|
artikel
|
| 11 |
Ligand similarity guided receptor selection enhances docking accuracy and recall for non-nucleoside HIV reverse transcriptase inhibitors
|
Stanton, Richard A.
|
|
2015
|
21 |
11 |
p. 1-9
|
artikel
|
| 12 |
Molecular design and screening of energetic nitramine derivatives
|
Devi, Alka
|
|
2015
|
21 |
11 |
p. 1-7
|
artikel
|
| 13 |
Molecular modeling studies demonstrate key mutations that could affect the ligand recognition by influenza AH1N1 neuraminidase
|
Ramírez-Salinas, Gema L.
|
|
2015
|
21 |
11 |
p. 1-14
|
artikel
|
| 14 |
New insights into the effects of alloying Pt with Ni on oxygen reduction reaction mechanisms in acid medium: a first-principles study
|
Ou, Li-Hui
|
|
2015
|
21 |
11 |
p. 1-11
|
artikel
|
| 15 |
Optimization of enrofloxacin-imprinted polymers by computer-aided design
|
Dai, Zhengqiang
|
|
2015
|
21 |
11 |
p. 1-9
|
artikel
|
| 16 |
Pharmacophore modeling, 3D-QSAR, and docking study of pyrozolo[1,5-a]pyridine/4,4-dimethylpyrazolone analogues as PDE4 selective inhibitors
|
Tripuraneni, Naga Srinivas
|
|
2015
|
21 |
11 |
p. 1-12
|
artikel
|
| 17 |
Scorpion toxins prefer salt solutions
|
Nikouee, Azadeh
|
|
2015
|
21 |
11 |
p. 1-14
|
artikel
|
| 18 |
Substituent effects on the croconate dyes in dye sensitized solar cell applications: a density functional theory study
|
Chitumalla, Ramesh Kumar
|
|
2015
|
21 |
11 |
p. 1-8
|
artikel
|
| 19 |
The CO oxidation mechanism on small Pd clusters. A theoretical study
|
González-Torres, Julio César
|
|
2015
|
21 |
11 |
p. 1-10
|
artikel
|
| 20 |
Theoretical and experimental studies on three new coordination complexes of Co(II), Ni(II), and Cu(II) with 2,4-dichloro-6-{(E)-[(5-chloro-2 sulfanylphenyl)imino]methyl}phenol Schiff base ligand
|
Kusmariya, Brajendra S.
|
|
2015
|
21 |
11 |
p. 1-14
|
artikel
|
| 21 |
Theoretical insight into the conversion of xylose to furfural in the gas phase and water
|
Wang, Meng
|
|
2015
|
21 |
11 |
p. 1-10
|
artikel
|
| 22 |
Theoretical study of the oxidation mechanisms of thiophene initiated by hydroxyl radicals
|
Shiroudi, Abolfazl
|
|
2015
|
21 |
11 |
p. 1-20
|
artikel
|
| 23 |
Theoretical study on monometallic cyanide cluster fullerenes MCN@C74 (M=Y, Tb)
|
Gao, Xu
|
|
2015
|
21 |
11 |
p. 1-8
|
artikel
|
| 24 |
Towards predictive docking at aminergic G-protein coupled receptors
|
Jakubík, Jan
|
|
2015
|
21 |
11 |
p. 1-18
|
artikel
|
| 25 |
Tuning of chalcogen bonds by cation–π interactions: cooperative and diminutive effects
|
Esrafili, Mehdi D.
|
|
2015
|
21 |
11 |
p. 1-8
|
artikel
|
| 26 |
Unraveling the performance of dispersion-corrected functionals for the accurate description of weakly bound natural polyphenols
|
Di Meo, Florent
|
|
2015
|
21 |
11 |
p. 1-10
|
artikel
|
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