| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A computational strategy to understand structure-activity relationship of 1,3-disubstituted imidazole [1,5-α] pyrazine derivatives described as ATP competitive inhibitors of the IGF-1 receptor related to Ewing sarcoma
|
Guaitoli, Valentina
|
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26 |
8 |
|
artikel
|
| 2 |
A molecular dynamics study on the buckling behavior of single-walled carbon nanotubes filled with gold nanowires
|
Ajori, S.
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26 |
8 |
|
artikel
|
| 3 |
Approximate energy spectra of improved generalized Mobius square potential (IGMSP) for some diatomic hydride molecules
|
Okorie, Uduakobong S.
|
|
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26 |
8 |
|
artikel
|
| 4 |
Computational investigation of cobalt and copper bis (oxothiolene) complexes as an alternative for olefin purification
|
Sredojević, Dušan N.
|
|
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26 |
8 |
|
artikel
|
| 5 |
Computer simulation aided preparation of molecularly imprinted polymers for separation of bilobalide
|
Huang, Xusheng
|
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26 |
8 |
|
artikel
|
| 6 |
Correction to: Insights into the mechanism(s) of digestion of crystalline cellulose by plant class C GH9 endoglucanases
|
Kundu, Siddhartha
|
|
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26 |
8 |
|
artikel
|
| 7 |
Crystal morphology prediction of 2,2′,4,4′,6,6’-hexanitrostilbene (HNS) by molecular scale simulation
|
Song, Liang
|
|
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26 |
8 |
|
artikel
|
| 8 |
Design and characteristics of novel PVA/PEG/Y2O3 structure for optoelectronics devices
|
Ahmed, Hind
|
|
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26 |
8 |
|
artikel
|
| 9 |
Designing a novel material with considerable nonlinear optical responses based on the bicorannulenyl molecule
|
Song, Yao-Dong
|
|
|
26 |
8 |
|
artikel
|
| 10 |
Dynamic probing of structural evolution for Co50Ni50 metallic glass during pressurized cooling using atomistic simulation
|
Deshmukh, Akash A.
|
|
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26 |
8 |
|
artikel
|
| 11 |
Effect of salt concentration on properties of mixed carbonate-based electrolyte for Li-ion batteries: a molecular dynamics simulation study
|
Haghkhah, Hasty
|
|
|
26 |
8 |
|
artikel
|
| 12 |
Effect of substitutional and vacancy defects on the electrical and mechanical properties of 2D-hexagonal boron nitride
|
Sagar, T. Chaitanya
|
|
|
26 |
8 |
|
artikel
|
| 13 |
Effects of L-serine amino acid functionalization on electronic properties of a graphene plane in comparison with oxygen functionalization
|
Prasert, Kittiya
|
|
|
26 |
8 |
|
artikel
|
| 14 |
Effects of molecular vacancy and ethylenediamine on structural and electronic properties of CH3NO2 surfaces
|
Bai, Zhi-Xin
|
|
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26 |
8 |
|
artikel
|
| 15 |
Immobilization of UiO-67 with photochromic spiropyrans: a quantum chemical study
|
Starikov, Andrey G.
|
|
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26 |
8 |
|
artikel
|
| 16 |
Influence of the second layer on geometry and spectral properties of doped two-dimensional hexagonal boron nitride
|
Chojecki, Michał
|
|
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26 |
8 |
|
artikel
|
| 17 |
Insight into natural inhibitors and bridging docking to dynamic simulation against sugar Isomerase (SIS) domain protein
|
Ahmad, Faisal
|
|
|
26 |
8 |
|
artikel
|
| 18 |
Inverse in silico–in vitro fishing of unexpected paroxetine kinase targets from tumor druggable kinome
|
Zhou, Weiyan
|
|
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26 |
8 |
|
artikel
|
| 19 |
Investigation on mechanical behaviors of Cu-Ni binary alloy nanopillars: a molecular dynamics study
|
Rahman, Mohd Mahfuzur
|
|
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26 |
8 |
|
artikel
|
| 20 |
Modeling of butyric acid recognition by molecular imprinted polyimide
|
Linh, Cao Nhat
|
|
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26 |
8 |
|
artikel
|
| 21 |
Molecular basis of the beta-lactamase protein using comparative modelling, drug screening and molecular dynamics studies to understand the resistance of β-lactam antibiotics
|
Alazmi, Meshari
|
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26 |
8 |
|
artikel
|
| 22 |
Molecular dynamics simulation of siRNA loading into a nanoemulsion as a potential carrier
|
Pirhadi, Somayeh
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26 |
8 |
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artikel
|
| 23 |
Molecular modeling and simulation study of homoserine kinase as an effective leishmanial drug target
|
Meshram, Rohan J.
|
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26 |
8 |
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artikel
|
| 24 |
Novel B-C binary fullerenes following the isolated B4C3 hexagonal pyramid rule
|
Yan, Miao
|
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26 |
8 |
|
artikel
|
| 25 |
Radial distribution function for liquid gallium from experimental structure factor: a Hopfield neural network approach
|
Carvalho, F. S.
|
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|
26 |
8 |
|
artikel
|
| 26 |
Structure-based discovery of small molecule APC-Asef interaction inhibitors: In silico approaches and molecular dynamics simulations
|
Jadav, Surender Singh
|
|
|
26 |
8 |
|
artikel
|
| 27 |
Surface dynamics of genomic DNAs upon lowering the pH, in the presence of graphene/AgNPs-based SERS detection platform
|
Muntean, Cristina M.
|
|
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26 |
8 |
|
artikel
|
| 28 |
The electronic structure of van der Waals heterostructures formed by the nanoflakes of black phosphorene with those of graphene and haeckelites: their complexes with Li
|
Narváez, Wilmer Esteban Vallejo
|
|
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26 |
8 |
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artikel
|
| 29 |
Theoretical investigation into the cooperativity effect of 1,4-dimethoxy-d-glucosamine complex with Na+ and H2O
|
Zhao, Jin-an
|
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26 |
8 |
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artikel
|
| 30 |
Theoretical prediction of the impact sensitivities of energetic C-nitro compounds
|
Chang, Shuang-jun
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26 |
8 |
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artikel
|
| 31 |
Theoretical study of CO2 hydrogenation on Cu surfaces
|
Wang, Rong
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26 |
8 |
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artikel
|
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