| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Characterization and structural analysis of prophenoloxidase in mud crab Scylla serrata and discovering novel chemical inhibitors through virtual screening
|
Jeyachandran, Sivakamavalli
|
|
|
31 |
4 |
p. 1563-1584
|
artikel
|
| 2 |
Combination of radial distribution functions as structural descriptors with ligand-receptor interaction information in the QSAR study of some 4-anilinoquinazoline derivatives as potent EGFR inhibitors
|
Beglari, Mozhgan
|
|
|
31 |
4 |
p. 1481-1491
|
artikel
|
| 3 |
Complexes between bicyclic boron derivatives and dihydrogen: the importance of strain
|
Alkorta, Ibon
|
|
|
31 |
4 |
p. 1273-1279
|
artikel
|
| 4 |
Computer-aided study of selective flavonoids against chikungunya virus replication using molecular docking and DFT-based approach
|
Hussain, Waqar
|
|
|
31 |
4 |
p. 1363-1374
|
artikel
|
| 5 |
Construction of elementary reaction paths of pure and mixed Argon-Xenon clusters : a parallel tempering based study
|
Ghorai, Sankar
|
|
|
31 |
4 |
p. 1429-1439
|
artikel
|
| 6 |
Correction to: Hydrazine trapping ability of Si12C12 fullerene-like nanoclusters: a DFT study
|
Rahimi, Rezvan
|
|
|
31 |
4 |
p. 1631-1632
|
artikel
|
| 7 |
De-novo design and synthesis of conformationally restricted thiazolidine-2,4-dione analogues: highly selective PPAR-γ agonist in search of anti-diabetic agent
|
Chhajed, Santosh S.
|
|
|
31 |
4 |
p. 1375-1385
|
artikel
|
| 8 |
Designing and looking for novel low-sensitivity and high-energy cage derivatives based on the skeleton of nonanitro nonaaza pentadecane framework
|
Khan, Raza Ullah
|
|
|
31 |
4 |
p. 1387-1402
|
artikel
|
| 9 |
DFT and TDDFT study of chemical reactivity and spectroscopic properties of M(TePh)2 [TMEDA] M=Zn, Cd, and Hg complexes
|
Bensiradj, Nour El Houda
|
|
|
31 |
4 |
p. 1493-1503
|
artikel
|
| 10 |
Drug design of new 5-HT6 antagonists: a QSAR study of arylsulfonamide derivatives
|
da Silva, Aldineia P.
|
|
|
31 |
4 |
p. 1585-1597
|
artikel
|
| 11 |
Harnessing aromaticity and intramolecular hydrogen bonding to tailor organosuperbases by using 2,4,6-cycloheptatriene-1-imine scaffold
|
Gilani, Maryam
|
|
|
31 |
4 |
p. 1545-1551
|
artikel
|
| 12 |
Intermolecular interactions of liquefied petroleum gas—alcohol mixtures with phyllosilicates
|
Prascsak, Amanda
|
|
|
31 |
4 |
p. 1609-1619
|
artikel
|
| 13 |
Investigation of the interaction of hypoxia-inducible factor 1-alpha inhibitor, IDF-11774, with heat shock protein, HSP70, using quantum chemistry calculations
|
Karamoozian, Najmeh
|
|
|
31 |
4 |
p. 1419-1428
|
artikel
|
| 14 |
Isatin derivatives as DNA minor groove-binding agents: a structural and theoretical study
|
Maldonado-Santiago, Maritza
|
|
|
31 |
4 |
p. 1289-1307
|
artikel
|
| 15 |
Joint gas-phase electron diffraction and quantum chemical study of conformational landscape and molecular structure of sulfonamide drug sulfanilamide
|
Kolesnikova, Inna N.
|
|
|
31 |
4 |
p. 1353-1362
|
artikel
|
| 16 |
Molecular oxides of high-valent actinides
|
Kovács, Attila
|
|
|
31 |
4 |
p. 1247-1271
|
artikel
|
| 17 |
Overlooked types of layered molecular hydrates over the past decade
|
Banaru, Alexander
|
|
|
31 |
4 |
p. 1449-1455
|
artikel
|
| 18 |
Preparation and structural studies of manganese polychloride anions in three metal charge states [(II), (III), (IV)]—their stereochemistries
|
Rojas, Yashiro
|
|
|
31 |
4 |
p. 1309-1316
|
artikel
|
| 19 |
Quantitative structure-activity relationship study for prediction of antifungal properties of phenolic compounds
|
Appell, Michael
|
|
|
31 |
4 |
p. 1621-1630
|
artikel
|
| 20 |
Quantitative structure-property relationship (QSPR) study to predict retention time of polycyclic aromatic hydrocarbons using the random forest and artificial neural network methods
|
Emrarian, Moona
|
|
|
31 |
4 |
p. 1281-1288
|
artikel
|
| 21 |
Structural insights into the origin of phosphoinositide 3-kinase inhibition
|
Hariri, Safoura
|
|
|
31 |
4 |
p. 1505-1522
|
artikel
|
| 22 |
Structural studies of 3-tert-butyl-8-(methylchalcogenyl)pyrazolo[5,1-c][1,2,4]triazin-4(1H)-ones
|
Ivanov, Sergey M.
|
|
|
31 |
4 |
p. 1457-1470
|
artikel
|
| 23 |
Synthesis and characterization of pyrrolo[1,2-a]quinoline derivatives for their larvicidal activity against Anopheles arabiensis
|
Uppar, Vijayakumar
|
|
|
31 |
4 |
p. 1533-1543
|
artikel
|
| 24 |
Synthesis, antibacterial evaluation and molecular docking studies of novel series of acridone- 1,2,3-triazole derivatives
|
Aarjane, Mohammed
|
|
|
31 |
4 |
p. 1523-1531
|
artikel
|
| 25 |
Synthesis, characterization, computational and biological studies of nitrothiazole incorporated heterocyclic azo dyes
|
Vinodkumar,
|
|
|
31 |
4 |
p. 1317-1329
|
artikel
|
| 26 |
The index of ideality of correlation and the variety of molecular rings as a base to improve model of HIV-1 protease inhibitors activity
|
Toropov, Andrey A.
|
|
|
31 |
4 |
p. 1441-1448
|
artikel
|
| 27 |
Theoretical studies of the paracetamol and phenacetin adsorption on single-wall boron-nitride nanotubes: a DFT and MD investigation
|
Ghasempour, Hojjat
|
|
|
31 |
4 |
p. 1403-1417
|
artikel
|
| 28 |
Theoretical study of the complexes of light-gated corannulene tweezers with fullerene
|
Hermida-Ramón, Jose M.
|
|
|
31 |
4 |
p. 1331-1337
|
artikel
|
| 29 |
Theoretical study of the structural features and antioxidant potential of 4-thiazolidinones
|
Sonam,
|
|
|
31 |
4 |
p. 1599-1608
|
artikel
|
| 30 |
Theoretical study on carbonaceous materials as high efficient carriers for crizotinib drug in liquid water by density functional theory approach
|
Kiani, Mohammad Kia
|
|
|
31 |
4 |
p. 1553-1561
|
artikel
|
| 31 |
Theoretical study on the effect of spacer groups on the nonlinear optical properties of polyvinyl carbazole molecular fragments
|
Xiao, Wenmin
|
|
|
31 |
4 |
p. 1471-1479
|
artikel
|
| 32 |
The use of the Klopman index as a new descriptor for pharmacophore analysis on strong aromatase inhibitor flavonoids against estrogen-dependent breast cancer
|
Kızılcan, Dilek Şeyma
|
|
|
31 |
4 |
p. 1339-1351
|
artikel
|
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