Journal Of Molecular Graphics & Modelling

雜志介紹

Journal Of Molecular Graphics & Modelling雜志介紹

《Journal Of Molecular Graphics & Modelling》是一本以English為主的未開放獲取國際優秀期刊，中文名稱分子圖形與建模雜志，本刊主要出版、報道生物學-CRYSTALLOGRAPHY領域的研究動態以及在該領域取得的各方面的經驗和科研成果，介紹該領域有關本專業的最新進展，探討行業發展的思路和方法，以促進學術信息交流，提高行業發展。該刊已被國際權威數據庫SCIE收錄，為該領域相關學科的發展起到了良好的推動作用，也得到了本專業人員的廣泛認可。該刊最新影響因子為2.7，最新CiteScore 指數為5.5。

本刊近期中國學者發表的論文主要有：

• 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

英文介紹

Journal Of Molecular Graphics & Modelling雜志英文介紹

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.