| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
An analysis of hydrophobic interactions of thymidylate synthase with methotrexate: Free energy calculations involving mutant and native structures bound to methotrexate
|
Reddy, Ramirededy Nageswara
|
|
2009
|
16 |
2 |
p. 203-209
|
artikel
|
| 2 |
An experimental and theoretical approach to the molecular structure of 2-{4-[3-(2,5-dimethylphenyl)-3-methylcyclobutyl]thiazol-2-yl}isoindoline-1,3-dione
|
Özdemir, Namık
|
|
2009
|
16 |
2 |
p. 291-302
|
artikel
|
| 3 |
A study on the interaction between 5-Methyluridine and human serum albumin using fluorescence quenching method and molecular modeling
|
Cui, Feng-Ling
|
|
2009
|
16 |
2 |
p. 255-262
|
artikel
|
| 4 |
Cancer-relevant biochemical targets of cytotoxic Lonchocarpus flavonoids: A molecular docking analysis
|
Cassidy, Caitlin E.
|
|
2009
|
16 |
2 |
p. 311-326
|
artikel
|
| 5 |
Cation recognition of thiacalix[2]thianthrene and p-tert-butylthiacalix[2]thianthrene and their conformers and complexes with Zn(II), Cd(II) and Hg(II): a theoretical investigation
|
Kaenkaew, Saowapak
|
|
2009
|
16 |
2 |
p. 243-253
|
artikel
|
| 6 |
Density functional computational studies on (E)-2-[(2-Hydroxy-5-nitrophenyl)-iminiomethyl]-4-nitrophenolate
|
Tanak, Hasan
|
|
2009
|
16 |
2 |
p. 235-241
|
artikel
|
| 7 |
3D-QSAR study of c-Src kinase inhibitors based on docking
|
Cao, Ran
|
|
2009
|
16 |
2 |
p. 361-375
|
artikel
|
| 8 |
Efficient conformational sampling of multiconformational cyclic molecules: application to 1,4,7,10,13-Pentaoxacyclopentadecane
|
Jagannadh, Bulusu
|
|
2009
|
16 |
2 |
p. 285-290
|
artikel
|
| 9 |
Evolutionary trace analysis of CYP51 family: implication for site-directed mutagenesis and novel antifungal drug design
|
Sheng, Chunquan
|
|
2009
|
16 |
2 |
p. 279-284
|
artikel
|
| 10 |
Factor analysis of microbiological activity data and structural parameters of antibacterial quinolones
|
Koba, Marcin
|
|
2009
|
16 |
2 |
p. 327-335
|
artikel
|
| 11 |
In silico QSAR studies of anilinoquinolines as EGFR inhibitors
|
Ahmad Pasha, Farhan
|
|
2009
|
16 |
2 |
p. 263-277
|
artikel
|
| 12 |
Meta-heuristics on quantitative structure-activity relationships: study on polychlorinated biphenyls
|
Jäntschi, Lorentz
|
|
2009
|
16 |
2 |
p. 377-386
|
artikel
|
| 13 |
Mg-Al layered double hydroxide intercalated with porphyrin anions: molecular simulations and experiments
|
Kovář, Petr
|
|
2009
|
16 |
2 |
p. 223-233
|
artikel
|
| 14 |
Molecular-docking-guided 3D-QSAR studies of substituted isoquinoline-1,3-(2H,4H)-diones as cyclin-dependent kinase 4 (CDK4) inhibitors
|
Lu, Xiao-Yun
|
|
2009
|
16 |
2 |
p. 163-173
|
artikel
|
| 15 |
Molecule design and screening of novel unsymmetrical zinc phthalocyanine sensitizers for dye-sensitized solar cells
|
Cui, Hongji
|
|
2009
|
16 |
2 |
p. 303-310
|
artikel
|
| 16 |
New vistas in GPCR 3D structure prediction
|
Rayan, Anwar
|
|
2009
|
16 |
2 |
p. 183-191
|
artikel
|
| 17 |
Structural analysis and the effect of cyclo(His–Pro) dipeptide on neurotoxins—a dynamics and density functional theory study
|
Abiram, Angamuthu
|
|
2009
|
16 |
2 |
p. 193-202
|
artikel
|
| 18 |
Superimposition of protein structures with dynamically weighted RMSD
|
Wu, Di
|
|
2009
|
16 |
2 |
p. 211-222
|
artikel
|
| 19 |
Theoretical characterization of SOME amides and esters DERIVATIVES of valproic acid
|
Comelli, Nieves C.
|
|
2009
|
16 |
2 |
p. 343-359
|
artikel
|
| 20 |
Theoretical description of bonding in cis-W(CO)4(piperidine)2 and its dimer
|
Mitoraj, Mariusz P.
|
|
2009
|
16 |
2 |
p. 337-342
|
artikel
|
| 21 |
Variation of reaction dynamics for OH hydrogen abstraction from glycine between ab initio levels of theory
|
Lin, Ren-Jie
|
|
2009
|
16 |
2 |
p. 175-182
|
artikel
|
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