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The conformations and shapes of macromolecular structures in biological and synthetic materials often define the macroscopic functions of the systems. Tessellate and Montage provide a standardized toolset for rapid reporting… Click to show full abstract
The conformations and shapes of macromolecular structures in biological and synthetic materials often define the macroscopic functions of the systems. Tessellate and Montage provide a standardized toolset for rapid reporting of large datasets allowing comparisons of cyclic molecule conformations (ring pucker) from structural databases and simulation trajectory data. This facilitates an understanding of the dynamic transition between common conformations and the flexible range in a ring that underlies molecular behaviour and recognition properties.
Journal Title: F1000Research
Year Published: 2017
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