Volume 16; Issue 10

Journal of Molecular Modeling

Volume 16; Issue 10

1

Relationship between structure and entropy contributions in an anthraquinone mercapto derivative

Maciej Roman, Agnieszka Kaczor, Malgorzata Baranska

Journal:

Journal of Molecular Modeling

Year:

2010

Language:

english

File:

PDF, 541 KB

english, 2010

2

Pharmacophore mapping of arylamino-substituted benzo[b]thiophenes as free radical scavengers

Indrani Mitra, Achintya Saha, Kunal Roy

Journal:

Journal of Molecular Modeling

Year:

2010

Language:

english

File:

PDF, 402 KB

english, 2010

3

Docking and 3D-QSAR studies of diverse classes of human aromatase (CYP19) inhibitors

Partha Pratim Roy, Kunal Roy

Journal:

Journal of Molecular Modeling

Year:

2010

Language:

english

File:

PDF, 726 KB

english, 2010

4

In silico point mutation and evolutionary trace analysis applied to nicotinic acetylcholine receptors in deciphering ligand-binding surfaces

Marimuthu Parthiban, Piramanayagam Shanmughavel, Ramanathan Sowdhamini

Journal:

Journal of Molecular Modeling

Year:

2010

Language:

english

File:

PDF, 1.31 MB

english, 2010

5

Density functional study of oxygen vacancy formation and spin density distribution in octahedral ceria nanoparticles

Talgat M. Inerbaev, Sudipta Seal, Artëm E. Masunov

Journal:

Journal of Molecular Modeling

Year:

2010

Language:

english

File:

PDF, 330 KB

english, 2010

6

Contribution of charged and polar residues for the formation of the E1–E2 heterodimer from Hepatitis C Virus

Siti Azma Jusoh, Christoph Welsch, Shirley W. I. Siu, Rainer A. Böckmann, Volkhard Helms

Journal:

Journal of Molecular Modeling

Year:

2010

Language:

english

File:

PDF, 917 KB

english, 2010

7

Investigation on the micro-mechanisms of Al3+interfering the reactivities of aspartic acid and its biological processes with Mg2+

Jian Fen Fan, Liang Jun He, Jian Liu, Min Tang

Journal:

Journal of Molecular Modeling

Year:

2010

Language:

english

File:

PDF, 709 KB

english, 2010

8

Effects of the V82A and I54V mutations on the dynamics and ligand binding properties of HIV-1 protease

Pia Dirauf, Heike Meiselbach, Heinrich Sticht

Journal:

Journal of Molecular Modeling

Year:

2010

Language:

english

File:

PDF, 508 KB

english, 2010

9

Study of a structurally similar kappa opioid receptor agonist and antagonist pair by molecular dynamics simulations

Michal Kolinski, Slawomir Filipek

Journal:

Journal of Molecular Modeling

Year:

2010

Language:

english

File:

PDF, 898 KB

english, 2010

10

Many-body energies during proton transfer in an aqueous system

Ajay Chaudhari, Gul Afroz Meraj, Shyi-Long Lee

Journal:

Journal of Molecular Modeling

Year:

2010

Language:

english

File:

PDF, 199 KB

english, 2010

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