Research Topic

Visualization of Biomolecular Structures

About this Research Topic

The visual analysis of biomolecular structures is a core method used in emerging technologies, such as drug design, protein engineering, and nanotechnologies. Currently, one of the main uses of these visual analysis methods is to significantly enhance in-silico screening of large multidimensional datasets, which in turn, can improve the success rates of in-vitro screening, e.g., for protein-ligand or protein-protein interactions.

However, new possibilities and challenges for biomolecular structure analysis are emerging in a range of data acquisition methods (e.g., electron microscopy, nuclear magnetic resonance, cryo-EM, quantum chemistry), as well as developments in computational capabilities (e.g., large scale molecular dynamics simulations, protein folding predictions).

This Research Topic aims to support these ongoing initiatives by welcoming contributions including (but not limited to) the following areas of biomolecular structure analysis:

• Visualization techniques for exploration and analysis
• Novel visual encodings and representations
• Visual representations of complex biomolecular data
• Real-time rendering of large biomolecules or molecular complexes
• Analysis and visualization of molecular interactions
• Visual analysis techniques for molecular simulations, such as molecular dynamics or coarse-grained methods
• Interaction methods for structural biology and computational nanoscience
• Interactive molecular modeling approaches
• Biological visualization methods and tools for a general audience (e.g., science communication, outreach, and educational applications)
• Multiscale methods and data structures
• Interaction and design of visual computing workflows in biochemistry and biology
• Mining and analysis
• Emerging interaction techniques (e.g., virtual, augmented, and mixed reality)
• Systems and software tools for visualization and analysis of biomolecules


Keywords: visualization, molecular graphics, biomolecular structure, biological visualization, molecular interactions, visual representation, molecular simulation


Important Note: All contributions to this Research Topic must be within the scope of the section and journal to which they are submitted, as defined in their mission statements. Frontiers reserves the right to guide an out-of-scope manuscript to a more suitable section or journal at any stage of peer review.

The visual analysis of biomolecular structures is a core method used in emerging technologies, such as drug design, protein engineering, and nanotechnologies. Currently, one of the main uses of these visual analysis methods is to significantly enhance in-silico screening of large multidimensional datasets, which in turn, can improve the success rates of in-vitro screening, e.g., for protein-ligand or protein-protein interactions.

However, new possibilities and challenges for biomolecular structure analysis are emerging in a range of data acquisition methods (e.g., electron microscopy, nuclear magnetic resonance, cryo-EM, quantum chemistry), as well as developments in computational capabilities (e.g., large scale molecular dynamics simulations, protein folding predictions).

This Research Topic aims to support these ongoing initiatives by welcoming contributions including (but not limited to) the following areas of biomolecular structure analysis:

• Visualization techniques for exploration and analysis
• Novel visual encodings and representations
• Visual representations of complex biomolecular data
• Real-time rendering of large biomolecules or molecular complexes
• Analysis and visualization of molecular interactions
• Visual analysis techniques for molecular simulations, such as molecular dynamics or coarse-grained methods
• Interaction methods for structural biology and computational nanoscience
• Interactive molecular modeling approaches
• Biological visualization methods and tools for a general audience (e.g., science communication, outreach, and educational applications)
• Multiscale methods and data structures
• Interaction and design of visual computing workflows in biochemistry and biology
• Mining and analysis
• Emerging interaction techniques (e.g., virtual, augmented, and mixed reality)
• Systems and software tools for visualization and analysis of biomolecules


Keywords: visualization, molecular graphics, biomolecular structure, biological visualization, molecular interactions, visual representation, molecular simulation


Important Note: All contributions to this Research Topic must be within the scope of the section and journal to which they are submitted, as defined in their mission statements. Frontiers reserves the right to guide an out-of-scope manuscript to a more suitable section or journal at any stage of peer review.

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Submission Deadlines

08 August 2021 Manuscript

Participating Journals

Manuscripts can be submitted to this Research Topic via the following journals:

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Topic Editors

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Submission Deadlines

08 August 2021 Manuscript

Participating Journals

Manuscripts can be submitted to this Research Topic via the following journals:

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