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Volume 5, 2004
Issue 1 (January 2004) pages 1-34
P. Kolandaivela*
,R. Kanakarajuba
Department of
Physics, Bharathiar University, Coimbatore-641046, India. Fax:
+91-422-2422387. E-mail:
ponkvel@hotmail.com
b Department of Physics, Nallamuthu Gounder Mahalingam College,
Pollachi-642 001, India.
*Author to whom correspondence should be addressed.
Structure, Stability and Interaction
Studies on Schiff Base Analogue Systems
Int. J. Mol. Sci. 2004, 5, 1-12
( 266 K)
Li Shenghua*, Yang He, Jin Yuansheng
State Key Laboratory of Tribology, Tsinghua University,
Beijing 100084, P.R. China
Tel.: +86 (10) 62772509, Fax: +86 (10) 62784691, E-mail:
lish@pim.tsinghua.edu.cn
URL:
http://www.pim.tsinghua.edu.cn/sklt/sklt.html
*Author to whom correspondence should be addressed.
Lubrication Chemistry Viewed from
DFT-Based Concepts and Electronic Structural Principles
Int. J. Mol. Sci. 2004, 5, 13-34
(
269 K)
Issue 2 ( February 2004 ) pages 35-74
Special Issue: Proceedings of the 9th
Electronic Computational Chemistry Conference. Part I.
Robert Q. Topper1*, Olga Dmitrenko2
1
Department of
Chemistry, Medical Technology and Physics, Monmouth University, West Long
Branch, NJ 07764-1898 USA, Tel.:(732) 571-4418, Fax: (732) 263-5213, E-mail:
rtopper@monmouth.edu, URL:
http://www.monmouth.edu/~rtopper
2Department of Chemistry and Biochemistry, University of Delaware, DE
19716 USA, E-mail: odmitr@udel.edu
*Author to whom correspondence should be addressed.
Editorial: Proceedings of the
9th Electronic Computational Chemistry Conference
Int. J. Mol. Sci. 2004, 5, 35-36 (
118 K)
Mire Zloh1*,Simon Gibbons2
1 University of London
School of Pharmacy, Department of Pharmaceutical and Biological Chemistry,
29-39 Brunswick Square, London WC1N 1AX, UK Tel: + 44 (0) 20 7753 5879, Fax:
+44 (0) 20 7753 5964, E-mail:
mire.zloh@ulsop.ac.uk, URL:
http://www.ulsop.ac.uk/depts/pharmchem/zloh.html
2 University of London School of Pharmacy, Centre for
Pharmacognosy and Phytotherapy, 29-39 Brunswick Square, London WC1N 1AX, UK
Tel: + 44 (0) 20 7753 5913, E-mail:
simon.gibbons@ulsop.ac.uk,
URL:
http://www.ulsop.ac.uk/depts/cog-pages/sg.html
* Author to whom correspondence should be addressed.
Molecular Similarity of MDR Inhibitors
Int. J. Mol. Sci. 2004, 5, 37-47 (
863 K)
Latifa
Douali1*, Didier Villemin2, Driss Cherqaoui1
1Departement de Chimie, Faculte des Sciences Semlalia BP 2390
Universite Cadi Ayyad, Marrakech, Morocco. Tel: (+212) 44 43 46 49 ; Fax :
(+212) 44 43 74 08; E-mail: l.douali@ucam.ac.ma;
d.cherqaoui@menara.ma
2Ecole Nationale Superieure d'Ingenieurs (E.N.S.I.) I. S. M. R. A.,
LCMT, UMR CNRS n° 6507, 6 boulevard Marechal Juin, 14050 Caen Cedex, France.
*Author to whom correspondence should be addressed.
Exploring QSAR of Non-Nucleoside Reverse
Transcriptase Inhibitors by Neural Networks: TIBO Derivatives
Int. J. Mol. Sci. 2004, 5, 48-55 (
224 K)
Adam Fedorowicz1,
Lingyi Zheng,2 Harshinder Singh1,2,Eugene Demchuk1,3
1
National Institute for Occupational Safety and Health, Morgantown, WV.
E-mail: ajf4@cdc.gov
2 Department of Statistics, West Virginia University, Morgantown,
WV.
3 School of Pharmacy, West Virginia University, Morgantown, WV.
QSAR Study of Skin Sensitization Using Local
Lymph Node Assay Data
Int. J. Mol. Sci. 2004, 5, 56-66 (
201 K)
Stephen D. Williams1*, Emily E. Edwards2
1 Department of Chemistry,
Appalachian State University, Boone, NC 28608, USA
2 Chemical Physics Program, University of Maryland, College Park,
MD 20742, USA. Tel.: 828-262-2965, Fax: 828-262-6558, E-mail:
willsd@appstate.edu
* Author to whom correspondence should be addressed.
Scalar Relativistic Study of the
Structure of Rhodium Acetate
Int. J. Mol. Sci. 2004, 5, 67-74 (
201 K)
Issue 3 ( March 2004 ) pages 75-109
Special Issue: Proceedings of the 9th
Electronic Computational Chemistry Conference. Part II
Ansuman Lahiri1*,
Jozef Uli2 , Aatto Laaksonen 3
1
Department of Biophysics, Molecular Biology & Genetics, University of
Calcutta, 92 APC Road, Kolkata 700009, India.
alahiri@cubmb.ernet.in
2 Department of Biophysics, University of P. J. Safarik, Jesenna 5, 04S 54 Kosice, Slovak Republic.
3 Physical Chemistry Division, Arrhenius Laboratory, Stockholm University, S 106 91, Stockholm,Sweden.
*Author to whom correspondence should be addressed.
Theoretical Analysis of the Excited State Properties of Wybutine:
A Natural Probe for Transfer RNA Dynamics
Int. J. Mol. Sci. 2004, 5, 75-83 (
)
G. Suryanarayanan, P.A. Keifer, G. Wang, L. Kinarsky, M.A. Hollingsworth, S. Sherman*
Eppley Institute for Research in Cancer and Allied Diseases,
University of Nebraska Medical Center, Omaha, NE, 68198-6805, USA.
*Author to whom correspondence should be addressed.ssherm@unmc.edu
NMR-based Structural Studies of the Glycosylated MUC1 Tandem Repeat Peptide
Int. J. Mol. Sci. 2004, 5, 84-92 (
)
Gianluca Croce1, Aldo Arrais1 ,
Eliano Diana2, Bartolomeo Civalleri2,
Davide Viterbo1,1, Marco Milanesio 1*,
1
Dipartimento di Scienze e Tecnologie Avanzate,
Università del Piemonte Orientale,
Corso Borsalino 54, I-15100 Alessandria, Italy
URL: http://www.mfn.unipmn.it/~marcomi
*Author to whom correspondence should be addressed.
marco.milanesio@mfn.unipmn.it
2
Dipartimento di Chimica I.F.M., Università di Torino, Via P. Giuria 7, I-10125, Torino, Italy
The Interpretation of the Short Range Disorder in the Fluorene-TCNE Crystal Structure
Int. J. Mol. Sci. 2004, 5,93-100 (
)
Frederick R. Bennett1*, Peter Crew, Jennifer K. Muller
Nabalco Pty Ltd, P.O. Box 21, Nhulunbuy, Northern Territory, 0881, Australia
1
Present address: CSIRO Minerals, PO Box 90, Bentley, Western Australia, 6982, Australia
*Author to whom correspondence should be addressed.
Fred.Bennett@CSIRO.au
A GMDH Approach to Modelling Gibbsite Solubility in Bayer Process Liquors
Int. J. Mol. Sci. 2004, 5, 101-109 (
)
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