| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A homology model for Clostridium difficile methionyl tRNA synthetase: active site analysis and docking interactions
|
Al-Moubarak, Ehab
|
|
2010
|
17 |
7 |
p. 1679-1693
|
artikel
|
| 2 |
Anti-tubercular drug designing by structure based screening of combinatorial libraries
|
Ghosh, Payel
|
|
2010
|
17 |
7 |
p. 1607-1620
|
artikel
|
| 3 |
A tool for the morphological analysis of mixtures of lipids and water in computer simulations
|
Fuhrmans, Marc
|
|
2010
|
17 |
7 |
p. 1755-1766
|
artikel
|
| 4 |
A versatile approach for modeling and simulating the tacticity of polymers
|
Miri, Massoud J.
|
|
2010
|
17 |
7 |
p. 1767-1780
|
artikel
|
| 5 |
Computational investigation of the histidine ammonia-lyase reaction: a modified loop conformation and the role of the zinc(II) ion
|
Seff, Amalia-Laura
|
|
2010
|
17 |
7 |
p. 1551-1563
|
artikel
|
| 6 |
Coupling between the BLUF and EAL domains in the blue light-regulated phosphodiesterase BlrP1
|
Khrenova, Maria
|
|
2010
|
17 |
7 |
p. 1579-1586
|
artikel
|
| 7 |
Docking and molecular dynamics study on the inhibitory activity of N, N-disubstituted-trifluoro-3-amino-2-propanols-based inhibitors of cholesteryl ester transfer protein
|
Dong, Bo-Liang
|
|
2010
|
17 |
7 |
p. 1727-1734
|
artikel
|
| 8 |
Effect of alkyl substitution on H-bond strength of substituted amide-alcohol complexes
|
Nagaraju, M.
|
|
2010
|
17 |
7 |
p. 1801-1816
|
artikel
|
| 9 |
Flexibility of the exportins Cse1p and Xpot depicted by elastic network model
|
Hu, Mingwen
|
|
2010
|
17 |
7 |
p. 1735-1741
|
artikel
|
| 10 |
Homology modeling and molecular dynamics simulations of MUC1-9/H-2Kb complex suggest novel binding interactions
|
Stavrakoudis, Athanassios
|
|
2010
|
17 |
7 |
p. 1817-1829
|
artikel
|
| 11 |
Infrared and electronic absorption spectra of n-butyronitrile and its ions using Møller Plesset method
|
Naganathappa, Mahadevappa
|
|
2010
|
17 |
7 |
p. 1695-1705
|
artikel
|
| 12 |
Molecular dynamics simulation of ionic conductors: perspectives and limitations
|
Zahn, Dirk
|
|
2010
|
17 |
7 |
p. 1531-1535
|
artikel
|
| 13 |
Molecular dynamics studies of human receptor molecule in hemagglutinin of 1918 and 2009 H1N1 influenza viruses
|
Lee, Angelina Noviani
|
|
2010
|
17 |
7 |
p. 1635-1641
|
artikel
|
| 14 |
Multiple templates-based homology modeling enhances structure quality of AT1 receptor: validation by molecular dynamics and antagonist docking
|
Sokkar, Pandian
|
|
2010
|
17 |
7 |
p. 1565-1577
|
artikel
|
| 15 |
QSAR study on angiotensin-converting enzyme inhibitor oligopeptides based on a novel set of sequence information descriptors
|
Wang, Xiaoyu
|
|
2010
|
17 |
7 |
p. 1599-1606
|
artikel
|
| 16 |
Quantum chemical modeling of perovskite: An investigation of piezoelectricity in ferrite of yttrium
|
Lira, Fábio Augusto M. de
|
|
2010
|
17 |
7 |
p. 1621-1624
|
artikel
|
| 17 |
Stucture of the complex between Mucor pusillus pepsin and the key domain of κ-casein for site-directed mutagenesis: a combined molecular modeling and docking approach
|
Li, Tiezhu
|
|
2010
|
17 |
7 |
p. 1661-1668
|
artikel
|
| 18 |
Supramolecular synthon pattern in solid clioquinol and cloxiquine (APIs of antibacterial, antifungal, antiaging and antituberculosis drugs) studied by 35Cl NQR, 1H-17O and 1H-14N NQDR and DFT/QTAIM
|
Latosińska, Jolanta Natalia
|
|
2010
|
17 |
7 |
p. 1781-1800
|
artikel
|
| 19 |
The application of inverse Broyden’s algorithm for modeling of crack growth in iron crystals
|
Telichev, Igor
|
|
2010
|
17 |
7 |
p. 1707-1717
|
artikel
|
| 20 |
The mechanism of methanol decomposition by CuO. A theoretical study based on the reaction force and reaction electronic flux analysis
|
Cerόn, Maria Luisa
|
|
2010
|
17 |
7 |
p. 1625-1633
|
artikel
|
| 21 |
Theoretical and experimental studies of vibrational spectra and thermodynamical analysis of 3′-bromopropiophenone and 4′-bromo-3-chloropropiophenone
|
Pandian, Udhayakala
|
|
2010
|
17 |
7 |
p. 1587-1598
|
artikel
|
| 22 |
Theoretical study of hydrogen bond interactions of fluvastatin with ι-carrageenan and λ-carrageenan
|
Papadopoulos, Anastasios G.
|
|
2010
|
17 |
7 |
p. 1669-1678
|
artikel
|
| 23 |
Theoretical study of structural patterns in CH2OP2 isomers
|
Septelean, Raluca
|
|
2010
|
17 |
7 |
p. 1719-1725
|
artikel
|
| 24 |
Theoretical study on modeling and prediction of optical rotation for biodegradable polymers containing α-amino acids using QSAR approaches
|
Mallakpour, Shadpour
|
|
2010
|
17 |
7 |
p. 1743-1753
|
artikel
|
| 25 |
3,4,5-Trisubstituted-1,2,4-4H-triazoles as WT and Y188L mutant HIV-1 non-nucleoside reverse transcriptase inhibitors: docking-based CoMFA and CoMSIA analyses
|
Cichero, Elena
|
|
2010
|
17 |
7 |
p. 1537-1550
|
artikel
|
| 26 |
Understanding the structure-activity relationship of betulinic acid derivatives as anti-HIV-1 agents by using 3D-QSAR and docking
|
Lan, Ping
|
|
2010
|
17 |
7 |
p. 1643-1659
|
artikel
|
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