Volume 14; Issue 12

Journal of Molecular Modeling

Volume 14; Issue 12

1

Synchronous fluorescence determination and molecular modeling of 5-Aminosalicylic acid (5-ASA) interacted with human serum albumin

Feng-ling Cui, Li-xia Qin, Fang Li, Hong-xia Luo

Journal:

Journal of Molecular Modeling

Year:

2008

Language:

english

File:

PDF, 325 KB

english, 2008

2

Structure analysis of hydrotalcite intercalated with pyrenetetrasulfonate; experiments and molecular modelling

Marek Veteška, Miroslav Pospíšil, Klára Melánová, Ludvík Beneš, Vítězslav Zima

Journal:

Journal of Molecular Modeling

Year:

2008

Language:

english

File:

PDF, 777 KB

english, 2008

3

Exploring the binding features of rimonabant analogues and acyclic CB1antagonists: docking studies and QSAR analysis

Elena Cichero, Giulia Menozzi, Andrea Spallarossa, Luisa Mosti, Paola Fossa

Journal:

Journal of Molecular Modeling

Year:

2008

Language:

english

File:

PDF, 818 KB

english, 2008

4

Structural and dynamical studies of all-trans and all-cis cyclo[(1R,3S)-γ-Acc-Gly]3peptides

Gopalan Praveena, Ponmalai Kolandaivel

Journal:

Journal of Molecular Modeling

Year:

2008

Language:

english

File:

PDF, 520 KB

english, 2008

5

Theoretical study of the kinetics and mechanism of the decomposition of trifluoromethanol, trichloromethanol, and tribromomethanol in the gas phase

Katarzyna Brudnik, Dorota Wójcik-Pastuszka, Jerzy T. Jodkowski, Jerzy Leszczynski

Journal:

Journal of Molecular Modeling

Year:

2008

Language:

english

File:

PDF, 333 KB

english, 2008

6

Density functional theory and Møller-Plesset studies of hindered rotations of acetone

M. Heidari, H. Rahemi, A. Tarashi, S. F. Tayarri

Journal:

Journal of Molecular Modeling

Year:

2008

Language:

english

File:

PDF, 367 KB

english, 2008

7

Surface and interlayer structure of vermiculite intercalated with methyl viologen

Lenka Kulhánková, Pavla Čapková, Veronika Ramirez De Valle, Juan Poyato, Jose Luis Pérez-Rodríguez, Anton Lerf

Journal:

Journal of Molecular Modeling

Year:

2008

Language:

english

File:

PDF, 557 KB

english, 2008

8

Rational design of antithrombotic peptides to target the von Willebrand Factor (vWf) - GPIb integrin interaction

Carlos del Carpio Munoz, William Campbell, Iren Constantinescu, Maria I. C. Gyongyossy-Issa

Journal:

Journal of Molecular Modeling

Year:

2008

Language:

english

File:

PDF, 471 KB

english, 2008

9

A density functional theory study of phenyl formation initiated by ethynyl radical (C2H•) and ethyne (C2H2)

Romero M. Santiago, Antonius Indarto

Journal:

Journal of Molecular Modeling

Year:

2008

Language:

english

File:

PDF, 176 KB

english, 2008