Volume 9; Issue 6

Journal of Molecular Modeling

Volume 9; Issue 6

1

Conformational stability and normal coordinate analyses for 1-halovinyl azides CH2=CX–NNN (X is F, Cl and Br)

HassanM. Badawi, Wolfgang Förner, KhalidS. Al-Ghamdi

Journal:

Journal of Molecular Modeling

Year:

2003

Language:

english

File:

PDF, 328 KB

english, 2003

2

Prediction of solubility of aliphatic alcohols using the restricted components of autocorrelation method (RCAM)

Mohamed Nohair, Driss Zakarya

Journal:

Journal of Molecular Modeling

Year:

2003

Language:

english

File:

PDF, 182 KB

english, 2003

3

Molecular dynamics study of 4-OH-phenylacetyl-D-Y(Me)FQNRPR-NH2selectivity to V1a receptor

Artur Giełdoń, Rajmund Kaźmierkiewicz, Rafał Ślusarz, Marta Pasenkiewicz-Gierula, Jerzy Ciarkowski

Journal:

Journal of Molecular Modeling

Year:

2003

Language:

english

File:

PDF, 505 KB

english, 2003

4

Markovian chemicals "in silico" design (MARCH-INSIDE), a promising approach for computer-aided molecular design I: discovery of anticancer compounds

Humberto Gonzáles-Díaz, Ornella Gia, Eugenio Uriarte, Ivan Hernádez, Ronal Ramos, Mayrelis Chaviano, Santiago Seijo, JuanA. Castillo, Lázaro Morales, Lourdes Santana, Delali Akpaloo, Enrique Molina, M

Journal:

Journal of Molecular Modeling

Year:

2003

Language:

english

File:

PDF, 358 KB

english, 2003

5

A theoretical study of substituent effects on tautomerism of 2-hydroxybenzimidazoles

Cemil Öğretir, Selma Yarlıgan, Halil Berber, Taner Arslan, Seda Topal

Journal:

Journal of Molecular Modeling

Year:

2003

Language:

english

File:

PDF, 223 KB

english, 2003

6

AM1* parameters for phosphorus, sulfur and chlorine

Paul Winget, Anselm H. C. Horn, Cenk Selçuki, Bodo Martin, Timothy Clark

Journal:

Journal of Molecular Modeling

Year:

2003

Language:

english

File:

PDF, 186 KB

english, 2003

7

Theoretical studies of the conformational behavior of chain molecules containing polar groups: simulations of a poly(vinylidene fluoride) model

Yong Chen, Chwen-Yang Shew

Journal:

Journal of Molecular Modeling

Year:

2003

Language:

english

File:

PDF, 637 KB

english, 2003

8

An algorithm to filter out packing arrangements based on steric clashes

Bohdan Koudelka, Pavla Capkova

Journal:

Journal of Molecular Modeling

Year:

2003

Language:

english

File:

PDF, 219 KB

english, 2003

9

Molecular recognition between 4aS/R-galanthamine diastereoisomers and α-cyclodextrin

Ming Sun, Xiaohong Liu, Liushui Yan, Guoan Luo, Yufen Zhao

Journal:

Journal of Molecular Modeling

Year:

2003

Language:

english

File:

PDF, 221 KB

english, 2003