Volume 40; Issue 12

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Molecular Simulation
Volume 40; Issue 12

Molecular Simulation

Volume 40; Issue 12

1

A Monte Carlo study of equilibrium transition in finite cylindrical pores

Liu, Zhongjun, Nguyen, Van T., Do, D.D., Nicholson, D.

Journal:

Molecular Simulation

Année:

2014

Langue:

english

Fichier:

PDF, 663 KB

english, 2014

2

The impact of line tension on the contact angle of nanodroplets

Peng, Hong, Birkett, Greg R., Nguyen, Anh V.

Journal:

Molecular Simulation

Année:

2014

Langue:

english

Fichier:

PDF, 382 KB

english, 2014

3

Molecular dynamics simulation of O 2 diffusion in polydimethylsiloxane (PDMS) and end-linked PDMS networks

Ullal, Varun, Spearot, Douglas E.

Journal:

Molecular Simulation

Année:

2014

Langue:

english

Fichier:

PDF, 639 KB

english, 2014

4

Computer-assisted design of novel 1,4-dihydropyridine calcium channel blockers

da Mota, Estella G., Silva, Daniel G., Guimarães, Maria C., da Cunha, Elaine F.F., Freitas, Matheus P.

Journal:

Molecular Simulation

Année:

2014

Langue:

english

Fichier:

PDF, 298 KB

english, 2014

5

Design of specific inhibitors of the protein tyrosine phosphatase SHP-2 by virtual screening and core hopping method

Jin, Yuan-Yuan, Ma, Ying, Gao, Quan-Xiong, Wang, Run-Ling, Wang, Shu-Qing, Xu, Wei-Ren

Journal:

Molecular Simulation

Année:

2014

Langue:

english

Fichier:

PDF, 575 KB

english, 2014

6

Combined theoretical studies on solvation and hydrogen bond interactions in glycine tripeptide

Yogeswari, Balasubramaniam, Kanakaraju, Ramasamy, Boopathi, Subramaniam, Kolandaivel, Ponmalai

Journal:

Molecular Simulation

Année:

2014

Langue:

english

Fichier:

PDF, 1.14 MB

english, 2014

7

The interplay between the clustering of transmembrane proteins and coupling of anchored membrane proteins

Yue, Tongtao, Feng, Diwen, Zhang, Xianren

Journal:

Molecular Simulation

Année:

2014

Langue:

english

Fichier:

PDF, 892 KB

english, 2014

8

Testing the inter-operability of the CHARMM and SPC/Fw force fields for conformational sampling

Desmond, Jasmine L., Rodger, P. Mark, Walsh, Tiffany R.

Journal:

Molecular Simulation

Année:

2014

Langue:

english

Fichier:

PDF, 426 KB

english, 2014