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Volume 38; Issue 13
Main
Molecular Simulation
Volume 38; Issue 13
Molecular Simulation
Volume 38; Issue 13
1
Brittle ductile transition in carbon nanotube bundles
Cornwell, Charles F.
,
Welch, Charles R.
Journal:
Molecular Simulation
Year:
2012
Language:
english
File:
PDF, 382 KB
Your tags:
english, 2012
2
Effect of thiol-functionalised silica on cis platin adsorption
Compañy, Andres Díaz
,
Brizuela, Graciela
,
Simonetti, Sandra
Journal:
Molecular Simulation
Year:
2012
Language:
english
File:
PDF, 188 KB
Your tags:
english, 2012
3
Simulations of nuclear spin relaxation in liquid acetonitrile
Gerig, J. T.
Journal:
Molecular Simulation
Year:
2012
Language:
english
File:
PDF, 269 KB
Your tags:
english, 2012
4
Docking and DFT Studies to explore the Topoisomerase II ATP Pocket employing 3-Substituted 2,6-Piperazindiones for drug design
Correa-Basurto, J.
,
Ramos-Morales, F. R.
,
Matus, M. H.
,
Rosales-Hernández, M. C.
,
Mancilla-Percino, T.
,
Trujillo-Ferrara, J.
,
Ilizaliturri-Flores, I.
Journal:
Molecular Simulation
Year:
2012
Language:
english
File:
PDF, 765 KB
Your tags:
english, 2012
5
Molecular dynamics simulation of the gGAPDH–NAD + complex from Trypanosoma cruzi
de Oliveira, Osmair Vital
,
dos Santos, José Divino
,
Freitas, Luiz C.G.
Journal:
Molecular Simulation
Year:
2012
Language:
english
File:
PDF, 341 KB
Your tags:
english, 2012
6
Interactions between lignin and urea researched by molecular simulation
Li, Wenzhuo
,
Wang, Jianlong
Journal:
Molecular Simulation
Year:
2012
Language:
english
File:
PDF, 266 KB
Your tags:
english, 2012
7
The effects of structural parameters of zeolite on the adsorption of hydrogen: a molecular simulation study
Rahmati, Mahmoud
,
Modarress, Hamid
Journal:
Molecular Simulation
Year:
2012
Language:
english
File:
PDF, 452 KB
Your tags:
english, 2012
8
Docking and molecular dynamics studies of new potential inhibitors of the human epidermal receptor 2
Cortopassi, Wilian Augusto
,
Feital, Rafael José Cavalieri
,
Medeiros, Diogo de Jesus
,
Guizado, Teobaldo Ricardo Cuya
,
França, Tanos Celmar Costa
,
Pimentel, André Silva
Journal:
Molecular Simulation
Year:
2012
Language:
english
File:
PDF, 492 KB
Your tags:
english, 2012
9
Intermolecular electrostatics via molecular fragmentation: an application to crystal structure prediction
Habgood, Matthew
Journal:
Molecular Simulation
Year:
2012
Language:
english
File:
PDF, 307 KB
Your tags:
english, 2012
10
Confined fluids in a Janus pore: influence of surface asymmetry on structure and solvation forces
Malani, Ateeque
,
Ayappa, K. G.
Journal:
Molecular Simulation
Year:
2012
Language:
english
File:
PDF, 483 KB
Your tags:
english, 2012
11
Shear rate dependence of free energy barrier height for phenyl ring rotations in polystyrene based on non-equilibrium molecular dynamics simulations
Chang, Wen-Yen
,
Chang, Rong-Yeu
Journal:
Molecular Simulation
Year:
2012
Language:
english
File:
PDF, 522 KB
Your tags:
english, 2012
12
Changes in CNT-confined water structural properties induced by the variation in water molecule orientation
Wu, Ximing
,
Lu, Linghong
,
Zhu, Yudan
,
Wei, Mingjie
,
Guo, Xiaojing
,
Lu, Xiaohua
Journal:
Molecular Simulation
Year:
2012
Language:
english
File:
PDF, 378 KB
Your tags:
english, 2012
13
Theoretical investigation of the use of doped graphene as a membrane support for effective CO removal in hydrogen fuel cells
Durbin, D. J.
,
Malardier-Jugroot, C.
Journal:
Molecular Simulation
Year:
2012
Language:
english
File:
PDF, 583 KB
Your tags:
english, 2012
14
Classical and 3D QSAR studies on inverse agonists of human histamine H1 receptor
Thangapandian, Sundarapandian
,
John, Shalini
,
Lee, Keun Woo
Journal:
Molecular Simulation
Year:
2012
Language:
english
File:
PDF, 345 KB
Your tags:
english, 2012
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