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    2021/12/30 17:11:52 来源:官网信息 阅读:32 发布者:


    Your Paper Your Way

    We now differentiate between the requirements for new and revised submissions. You may choose to submit your manuscript as a single Word or PDF file to be used in the refereeing process. Only when your paper is at the revision stage, will you be requested to put your paper in to a 'correct format' for acceptance and provide the items required for the publication of your article.

    To find out more, please visit the Preparation section below.

    Published in Affiliation with the Molecular Graphics and Modelling Society and the ACS Division of Computers in Chemistry Former title: Journal of Molecular Graphics


    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.

    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.


    Descriptions of programs will not be accepted for publication by JMGM, but descriptions of algorithms are acceptable.

    Supplementary Information

    Authors should carefully develop manuscripts with brevity and clarity in mind, and as much material as possible should be deposited online as Supplementary Information. Consider placing items that are not REQUIRED for understanding the main conclusions of the paper, but are necessary for the reasons of repeatability and more detailed analysis in this category.

    Types of papers

    The editors also welcome authoritative review articles or commentaries on any aspect of molecular modeling and computational chemistry. If you are interested in contributing such material, you should first contact one of the Editors.

    Structural Data

    For papers describing structures of biological macromolecules, the atomic coordinates and the related experimental data (structure factor amplitudes/intensities and/or NMR restraints) must be deposited at a member site of the Worldwide Protein Data Bank (http://www.wwpdb.org): RCSB PDB ( http://www.pdb.org), MSD-EBI ( http://www.ebi.ac.uk/pdbe/), PDBj (http://www.pdbj.org, or BMRB (http://www.bmrb.wisc.edu). Manuscripts must carry a statement that coordinates and structure factors (or NMR restraints) have been deposited in the Protein Data Bank. The accession number(s) must be cited in the manuscript at the end of the Materials and Methods section. Authors must agree to release the atomic coordinates and experimental data immediately upon publication.

    It is increasingly common for coordinates to be deposited in the Protein Data Bank without an associated publication. Before submission to JSB, authors are expected to search the Protein Data Bank for related structures using one or more alignment programs and report the outcome. Prior deposition of related coordinates, without an associated publication, does not necessarily preclude publication in JMGM. The primary criteria for publication of a structure in JMGM are that it provides novel structural insights or important new functional and biological insights that are likely to be of general interest.

    Page Charges

    This journal has no page charges.

    Submission checklist

    You can use this list to carry out a final check of your submission before you send it to the journal for review. Please check the relevant section in this Guide for Authors for more details.

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