Subject: molecular modeling of carbohydrates

From: "Boyd" <[email-masked]>
Date: 15 Sep 2000 11:03:19 -0500

Dear Computational Chemists,

I would like to bring attention to the latest issue of the 
Journal of Molecular Graphics and Modelling.  This special issue 
(Vol. 18, No. 2) features recent advances in modelling carbohydrates.
The following articles were organized by Prof. J. Raul Grigera, 
Guest Editor.

Constructing and evaluating energy surfaces of crystalline disaccharides.
	Alfred D. French, Anne-Marie Kelterer, Glenn P. Johnson, 
	Michael K. Dowd, and Christopher J. Cramer

Single-coordinate-driving method in molecular docking.  Application to
modeling of guest inclusion in cyclodextrin.
	Jaroslav K., Martin Ludin, Serge Perez, and Anne Imberty

Hydration of T-antigen Gal-beta(1-3)GalNAc and the isomer Gal-beta(1-3)GlcNAc
by molecular dynamics simulations.
	Ernesto R. Caffarena and Paulo M. Bisch

Glycosylation of prions and its effect in protein conformation relevant to
amino acid mutations.
	Nicky K. C. Wong, D. V. Renouf, S. Lehmann, and E. F. Hounsell

Studies on the solution conformation and dynamics of the polysaccharide from
sinorhizobium fredii hh103 and its monosaccharide repeating unit.
	Miguel A. Rodriguez-Carvajal, Manuel Bernabe, Jose L. Espartero, 
	Pilar Tejero-Mateo, Antonio Gil-Serrano, and Jesus Jimenez-Barbero

Diffusion of water molecules in crystalline 9-cyclodextrin hydrates.
	K. Braesicke, T. Steiner, W. Saenger and Ernst Walter Knapp

Investigation on the mobility of the glycosidic linkage in sucrose through the
study of the phase space structure of a two-degrees of freedom model.
	G. Longhi, M. Malandrino, and Sergio Abbate

Online versions of these articles are at www.chemweb.com.

The News and Views section of this issue includes contributions from David
Goodsell, Bruce Gaber, Ken Lind, Gustavo Arteca, Jurgen Bajorath, Rebecca
Rone, Leo Caves, and Klaus Schulten.

Thanks, Don

Donald B. Boyd, Ph.D.
Editor, Journal of Molecular Graphics and Modelling
	(publication of the ACS COMP division and MGMS)
	http://chem.iupui.edu/~boyd/jmgm.html
Department of Chemistry
Indiana University-Purdue University at Indianapolis
402 North Blackford Street
Indianapolis, Indiana 46202-3274, U.S.A.
Telephone 317-274-6891, FAX 317-274-4701
E-mail [email-masked]