Catálogo de publicaciones - revistas
Journal of Molecular Graphics and Modelling
Resumen/Descripción – provisto por la editorial en inglés
The Journal of Molecular Graphics and Modelling is devoted to the publication of papers on the uses of computers in theoretical investigations of molecular structure, function, interaction, and design. The scope of the journal includes all aspects of molecular modeling and computational chemistry, including, for instance, the study of molecular shape and properties, molecular simulations, protein and polymer engineering, drug design, materials design, structure-activity and structure-property relationships, database mining, and compound library design.As a primary research journal, JMGM seeks to bring new knowledge to the attention of our readers. As such, submissions to the journal need to not only report results, but must draw conclusions and explore implications of the work presented. Authors are strongly encouraged to bear this in mind when preparing manuscripts. Routine applications of standard modelling approaches, providing only very limited new scientific insight, will not meet our criteria for publication. Reproducibility of reported calculations is an important issue. Wherever possible, we urge authors to enhance their papers with Supplementary Data, for example, in QSAR studies machine-readable versions of molecular datasets or in the development of new force-field parameters versions of the topology and force field parameter files.
JMGM is published in association with two of the largest and most active professional societies in the field: the Molecular Graphics and Modelling Society (MGMS) and the Computers in Chemistry (COMP) Division of the American Chemical Society. Several thousand computational chemists worldwide belong to these two societies and any research topic that may of interest to the membership is within the wide scope of the journal. It is not necessary to be a member of these professional societies to publish in the journal.
Published in association with the Molecular Graphics and Modelling Society www.mgms.org and the ACS Division of Computers in Chemistry.
Palabras clave – provistas por la editorial
No disponibles.
Disponibilidad
| Institución detectada | Período | Navegá | Descargá | Solicitá |
|---|---|---|---|---|
| No detectada | desde feb. 1997 / hasta dic. 2023 | ScienceDirect |
Información
Tipo de recurso:
revistas
ISSN impreso
1093-3263
ISSN electrónico
1873-4243
Editor responsable
Elsevier
País de edición
Países Bajos
Fecha de publicación
1997-
Cobertura temática
Tabla de contenidos
Gas sensing properties of platinum derivatives of single-walled carbon nanotubes: A DFT analysis
P. Pannopard; P. Khongpracha; M. Probst; J. Limtrakul
Pp. 62-69
Molecular modeling study on the possible polymers formed during the electropolymerization of 3-hydroxyphenylacetic acid
Deusmaque Carneiro Ferreira; Antonio Eduardo da Hora Machado; Fernanda de Souza Tiago; João Marcos Madurro; Ana Graci Brito Madurro; Odonírio Abrahão
Pp. 18-27
Theoretical Study on Free Fatty Acid Elimination Mechanism for Waste Cooking Oils to Biodiesel over Acid Catalyst
Kai Wang; Xiaochao Zhang; Jilong Zhang; Zhiqiang Zhang; Caimei Fan; Peide Han
Pp. 41-46
Molecular dynamics of carbon nanohorns and their complexes with cisplatin in aqueous solution
Eduardo R. Almeida; Leonardo A. De Souza
; Wagner B. De Almeida; Hélio F. Dos Santos
Palabras clave: Materials Chemistry; Computer Graphics and Computer-Aided Design; Physical and Theoretical Chemistry; Spectroscopy.
Pp. 167-177