Volume 36; Issue 4

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Molecular Simulation
Volume 36; Issue 4

Molecular Simulation

Volume 36; Issue 4

1

FT-IR, FT-Raman and UV–vis spectra and quantum chemical investigation of carvedilol

Jagannathan, Lakshmi, Meenakshi, R., Gunasekaran, S., Srinivasan, S.

Journal:

Molecular Simulation

Year:

2010

Language:

english

File:

PDF, 212 KB

english, 2010

2

MIA-QSAR modelling of activities of a series of AZT analogues: bi- and multilinear PLS regression

Goodarzi, Mohammad, de Freitas, Matheus Puggina

Journal:

Molecular Simulation

Year:

2010

Language:

english

File:

PDF, 284 KB

english, 2010

3

Classical and 3D-QSAR studies of cytochrome 17 inhibitor imidazole-substituted biphenyls

Roy, Partha Pratim, Roy, Kunal

Journal:

Molecular Simulation

Year:

2010

Language:

english

File:

PDF, 1.39 MB

english, 2010

4

Molecular dynamics simulations of submonolayer hexane and pentane films on graphite

Roth, M.W., Kaspar, M., Wexler, Carlos, Firlej, L., Kuchta, B.

Journal:

Molecular Simulation

Year:

2010

Language:

english

File:

PDF, 3.89 MB

english, 2010

5

A density functional theory for Yukawa chain fluids in a nanoslit

Liu, Yu, Chen, Xueqian, Liu, Honglai, Hu, Ying, Jiang, Jianwen

Journal:

Molecular Simulation

Year:

2010

Language:

english

File:

PDF, 319 KB

english, 2010

6

Folding simulations of three proteins having all α-helix, all β-strand and α/β-structures

Sakae, Yoshitake, Okamoto, Yuko

Journal:

Molecular Simulation

Year:

2010

Language:

english

File:

PDF, 566 KB

english, 2010

7

Simulation of hydrocarbon molecules' absorption by ultra disperse water medium

Journal:

Molecular Simulation

Year:

2010

Language:

english

File:

PDF, 431 KB

english, 2010

8

Probabilistic models for damage and self-repair in DNA self-assembly

Journal:

Molecular Simulation

Year:

2010

Language:

english

File:

PDF, 1.40 MB

english, 2010