Journal Of Molecular Graphics & Modelling

杂志介绍

Journal Of Molecular Graphics & Modelling杂志介绍

《Journal Of Molecular Graphics & Modelling》是一本以English为主的未开放获取国际优秀期刊，中文名称分子图形与建模杂志，本刊主要出版、报道生物学-CRYSTALLOGRAPHY领域的研究动态以及在该领域取得的各方面的经验和科研成果，介绍该领域有关本专业的最新进展，探讨行业发展的思路和方法，以促进学术信息交流，提高行业发展。该刊已被国际权威数据库SCIE收录，为该领域相关学科的发展起到了良好的推动作用，也得到了本专业人员的广泛认可。该刊最新影响因子为2.7，最新CiteScore 指数为5.5。

本刊近期中国学者发表的论文主要有：

• Molecular dynamics-based analysis of the factors influencing the CO2 replacement of methane hydrate

  Author: Li, Weirong; Xu, Haobin; Ma, Xinle; Dong, Zhenzhen; Lei, Gang; Qian, Shihao; Wei, Xin; Pan, Xu

• SuHAN: Substructural hierarchical attention network for molecular representation

  Author: Ren, Tao; Zhang, Haodong; Shi, Yang; Luo, Ximeng; Zhou, Siqi

• Surface wettability of various phases of titania thin films: Atomic-scale simulation studies

  Author: Zhu, Peng; Dastan, Davoud; Liu, Lin; Wu, Lingkang; Shi, Zhicheng; Chu, Qian-Qian; Altaf, Faizah; Mohammed, Mustafa K. A.

• On the possibility of using the Ti@Si16 superatom as a novel drug delivery carrier for different drugs: A DFT study

  Author: Zhang, Li; Zhang, Jia-Chen; Shi, Ling-Fei; Cheng, Xin; Chen, Jing-Hua; Sun, Wei-Ming

英文介绍

Journal Of Molecular Graphics & Modelling杂志英文介绍

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. Routine applications of existing methods that do not lead to genuinely new insight will not be considered.