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Volume 40; Issue 15
Main
Molecular Simulation
Volume 40; Issue 15
Molecular Simulation
Volume 40; Issue 15
1
A density functional study of chemical, magnetic and thermodynamic properties of small palladium clusters
Singh, Ngangbam Bedamani
,
Sarkar, Utpal
Journal:
Molecular Simulation
Year:
2014
Language:
english
File:
PDF, 660 KB
Your tags:
english, 2014
2
Chemometric modelling of triphenylmethyl derivatives as potent anticancer agents
Mridha, Priyanka
,
Pal, Pallabi
,
Roy, Kunal
Journal:
Molecular Simulation
Year:
2014
Language:
english
File:
PDF, 477 KB
Your tags:
english, 2014
3
First-principles investigation on structural, elastic, electronic and thermodynamic properties of filled skutterudite PrFe 4 P 12 compound for thermoelectric applications
Ameri, Mohammed
,
Abdelmounaim, Belfedhal
,
Sebane, Mokhtar
,
Khenata, Rabah
,
Varshney, Dinesh
,
Bouhafs, Bachir
,
Al-Douri, Y.
,
Boudia, Keltouma
,
Ameri, Ibrahim
Journal:
Molecular Simulation
Year:
2014
Language:
english
File:
PDF, 374 KB
Your tags:
english, 2014
4
Scaling behaviour of different polymer models in dissipative particle dynamics of unentangled melts
Posel, Zbyšek
,
Rousseau, Bernard
,
Lísal, Martin
Journal:
Molecular Simulation
Year:
2014
Language:
english
File:
PDF, 777 KB
Your tags:
english, 2014
5
The derivatives of oseltamivir design passing through the important cleft of neuraminidase against influenza virus by de novo design
Zhang, Wei-Bing
,
Liu, Wen-Bo
,
Wu, Jing-Wei
,
Dong, Wei-Li
,
Wang, Shu-Qing
,
Wang, Run-Ling
Journal:
Molecular Simulation
Year:
2014
Language:
english
File:
PDF, 379 KB
Your tags:
english, 2014
6
Theoretical evaluation and improvement on the potency of the rhodanine-based inhibitors for human serotonin N -acetyltransferase
Zhang, Ji-Long
,
Zheng, Qing-Chuan
,
Li, Zheng-Qiang
,
Zhang, Hong-Xing
Journal:
Molecular Simulation
Year:
2014
Language:
english
File:
PDF, 355 KB
Your tags:
english, 2014
7
Simulation of a smeared polyelectrolyte in different solvent conditions
Uyaver, Şahin
Journal:
Molecular Simulation
Year:
2014
Language:
english
File:
PDF, 523 KB
Your tags:
english, 2014
8
Identification of the PcrA DNA helicase reaction pathway by applying advanced targeted molecular dynamic simulations
Wang, Hao
,
Hong, Wei
,
Paterson, Ian C.
,
Pu, Jing
,
Laughton, Charles A.
Journal:
Molecular Simulation
Year:
2014
Language:
english
File:
PDF, 489 KB
Your tags:
english, 2014
9
Molecular dynamics simulations to explore the active/inactive conformers of guinea pig β 2 adrenoceptor for the selective design of agonists or antagonists
Segura-Cabrera, A.
,
García-Pérez, C.A.
,
Ciprés-Flores, F.J.
,
Cuevas-Hernández, R.I.
,
Trujillo-Ferrara, J.G.
,
Correa-Basurto, J.
,
Soriano-Ursúa, M.A.
Journal:
Molecular Simulation
Year:
2014
Language:
english
File:
PDF, 466 KB
Your tags:
english, 2014
10
Editorial Board
Journal:
Molecular Simulation
Year:
2014
Language:
english
File:
PDF, 55 KB
Your tags:
english, 2014
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