| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Addition theorems for Slater-type orbitals in momentum space and their application to three-center overlap integrals
|
Guseinov, Israfil I.
|
|
2005
|
11 |
2 |
p. 124-127
|
artikel
|
| 2 |
Dynamic conformational states of DNA containing T·T or BrdU·T mispaired bases: wobble H-bond pairing versus cross-strand inter-atomic contacts
|
Gantchev, Tsvetan G.
|
|
2005
|
11 |
2 |
p. 141-159
|
artikel
|
| 3 |
Homology modeling and PAPS ligand (cofactor) binding study of bovine phenol sulfotransferase
|
Zheng, Qing-Chuan
|
|
2005
|
11 |
2 |
p. 97-104
|
artikel
|
| 4 |
Markovian chemicals “in silico” design (MARCH-INSIDE), a promising approach for computer-aided molecular design III: 2.5D indices for the discovery of antibacterials
|
González-Díaz, Humberto
|
|
2005
|
11 |
2 |
p. 116-123
|
artikel
|
| 5 |
Molecular models of protein targets from Mycobacterium tuberculosis
|
Silveira, Nelson José Freitas da
|
|
2005
|
11 |
2 |
p. 160-166
|
artikel
|
| 6 |
Prototropic tautomerism of imidazolone in aqueous solution: a density functional approach using the combined discrete/self-consistent reaction field (SCRF) models
|
Ren, Yi
|
|
2005
|
11 |
2 |
p. 167-173
|
artikel
|
| 7 |
QSPR modeling of the water solubility of diverse functional aliphatic compounds by optimization of correlation weights of local graph invariants
|
Roy, Kunal
|
|
2005
|
11 |
2 |
p. 89-96
|
artikel
|
| 8 |
Quantitative structure-activity relationship by CoMFA for cyclic urea and nonpeptide-cyclic cyanoguanidine derivatives on wild type and mutant HIV-1 protease
|
Avram, Speranta
|
|
2005
|
11 |
2 |
p. 105-115
|
artikel
|
| 9 |
Semi-empirical topological index: a tool for QSPR/QSAR studies
|
Junkes, Berenice da Silva
|
|
2005
|
11 |
2 |
p. 128-134
|
artikel
|
| 10 |
Theoretical mechanism of the formation of cholesteryl chloride from cholesterol and thionyl chloride
|
Sharma, Kamlesh
|
|
2005
|
11 |
2 |
p. 135-140
|
artikel
|
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