Computational design, fabrication and evaluation of rubber protein models
| Autor: | Thomas Alderighi, Paolo Cignoni, Luigi Malomo, Daniela Giorgi, Monica Zoppè |
|---|---|
| Rok vydání: | 2021 |
| Předmět: |
Fabrication
Molding Chemistry education Computer science General Engineering 020207 software engineering Teaching aids 02 engineering and technology Computer Graphics and Computer-Aided Design Pipeline (software) Protein models Human-Computer Interaction Set (abstract data type) Computational fabrication Workflow Human–computer interaction 0202 electrical engineering electronic engineering information engineering Protein model Tangible models Computational design Leverage (statistics) 020201 artificial intelligence & image processing |
| Zdroj: | Computers & graphics 98 (2021): 177–187. doi:10.1016/j.cag.2021.05.010 info:cnr-pdr/source/autori:Alderighi T.; Giorgi D.; Malomo L.; Cignoni P.; Zoppè M./titolo:Computational design, fabrication and evaluation of rubber protein models/doi:10.1016%2Fj.cag.2021.05.010/rivista:Computers & graphics/anno:2021/pagina_da:177/pagina_a:187/intervallo_pagine:177–187/volume:98 |
| ISSN: | 0097-8493 |
| DOI: | 10.1016/j.cag.2021.05.010 |
| Popis: | Tangible 3D molecular models conceptualize complex phenomena in a stimulating and engaging format. This is especially true for learning environments, where additive manufacturing is increasingly used to produce teaching aids for chemical education. However, the 3D models presented previously are limited in the type of molecules they can represent and the amount of information they carry. In addition, they have little role in representing complex biological entities such as proteins. We present the first complete workflow for the fabrication of soft models of complex proteins of any size. We leverage on molding technologies to generate accurate, soft models which incorporate both spatial and functional aspects of large molecules. Our method covers the whole pipeline from molecular surface preparation and editing to actual 3D model fabrication. The models fabricated with our strategy can be used as aids to illustrate biological functional behavior, such as assembly in quaternary structure and docking mechanisms, which are difficult to convey with traditional visualization methods. We applied the proposed framework to fabricate a set of 3D protein models, and we validated the appeal of our approach in a classroom setting. |
| Databáze: | OpenAIRE |
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