分子动画的设计原则

IF 2.8 Q2 MATHEMATICAL & COMPUTATIONAL BIOLOGY Frontiers in bioinformatics Pub Date : 2024-08-21 eCollection Date: 2024-01-01 DOI:10.3389/fbinf.2024.1353807
Stuart G Jantzen, Gaël McGill, Jodie Jenkinson
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引用次数: 0

摘要

分子可视化是表现分子复杂结构及其高阶组合以及分子相互作用动态的有力方法。尽管描绘静态分子结构和复合物的惯例现已确立,并能引导观众关注结构和功能的特定方面,但对于如何描绘分子运动却很少关注,也很少进行设计分类。随着我们不断探索和发现分子是如何运动的--包括其内部的灵活性、构象变化以及与结合伙伴和环境的动态关联--我们面临着艰巨的设计挑战,这些挑战对于科学界以及细胞和分子生物学专业的学生来说都与分子可视化相关。为了便于做出这些设计决定,我们确定了十二项分子动画设计原则,这些原则在制作分子动画时非常重要。其中许多原则主要涉及学生对分子机构的误解,而另一些原则则源自分子动画中经常出现的视觉处理方法,这些方法可能会助长学生的误解。针对每项原则,我们都制作了一对分子动画,通过在采用和不采用该设计方法的情况下描绘相同的内容来体现该原则。我们希望这套设计原则能够被科学界、教育界和科学可视化界使用,以促进和提高分子动画的教学效果。
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Design principles for molecular animation.

Molecular visualization is a powerful way to represent the complex structure of molecules and their higher order assemblies, as well as the dynamics of their interactions. Although conventions for depicting static molecular structures and complexes are now well established and guide the viewer's attention to specific aspects of structure and function, little attention and design classification has been devoted to how molecular motion is depicted. As we continue to probe and discover how molecules move - including their internal flexibility, conformational changes and dynamic associations with binding partners and environments - we are faced with difficult design challenges that are relevant to molecular visualizations both for the scientific community and students of cell and molecular biology. To facilitate these design decisions, we have identified twelve molecular animation design principles that are important to consider when creating molecular animations. Many of these principles pertain to misconceptions that students have primarily regarding the agency of molecules, while others are derived from visual treatments frequently observed in molecular animations that may promote misconceptions. For each principle, we have created a pair of molecular animations that exemplify the principle by depicting the same content in the presence and absence of that design approach. Although not intended to be prescriptive, we hope this set of design principles can be used by the scientific, education, and scientific visualization communities to facilitate and improve the pedagogical effectiveness of molecular animation.

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