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Frontiers in biomolecular mesh generation and molecular visualization systems
With the development of biomolecular modeling and simulation, especially implicit solvent modeling, higher requirements are set for the stability, efficiency and mesh quality of molecular mesh generation software. In this review, we summarize the recent works in biomolecular mesh generation and mole...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Springer Singapore
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7099538/ https://www.ncbi.nlm.nih.gov/pubmed/32240387 http://dx.doi.org/10.1186/s42492-018-0007-0 |
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author | Gui, Sheng Khan, Dawar Wang, Qin Yan, Dong-Ming Lu, Ben-Zhuo |
author_facet | Gui, Sheng Khan, Dawar Wang, Qin Yan, Dong-Ming Lu, Ben-Zhuo |
author_sort | Gui, Sheng |
collection | PubMed |
description | With the development of biomolecular modeling and simulation, especially implicit solvent modeling, higher requirements are set for the stability, efficiency and mesh quality of molecular mesh generation software. In this review, we summarize the recent works in biomolecular mesh generation and molecular visualization. First, we introduce various definitions of molecular surface and corresponding meshing software. Second, as the mesh quality significantly influences biomolecular simulation, we investigate some remeshing methods in the fields of computer graphics and molecular modeling. Then, we show the application of biomolecular mesh in the boundary element method (BEM) and the finite element method (FEM). Finally, to conveniently visualize the numerical results based on the mesh, we present two types of molecular visualization systems. |
format | Online Article Text |
id | pubmed-7099538 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | Springer Singapore |
record_format | MEDLINE/PubMed |
spelling | pubmed-70995382020-03-31 Frontiers in biomolecular mesh generation and molecular visualization systems Gui, Sheng Khan, Dawar Wang, Qin Yan, Dong-Ming Lu, Ben-Zhuo Vis Comput Ind Biomed Art Review With the development of biomolecular modeling and simulation, especially implicit solvent modeling, higher requirements are set for the stability, efficiency and mesh quality of molecular mesh generation software. In this review, we summarize the recent works in biomolecular mesh generation and molecular visualization. First, we introduce various definitions of molecular surface and corresponding meshing software. Second, as the mesh quality significantly influences biomolecular simulation, we investigate some remeshing methods in the fields of computer graphics and molecular modeling. Then, we show the application of biomolecular mesh in the boundary element method (BEM) and the finite element method (FEM). Finally, to conveniently visualize the numerical results based on the mesh, we present two types of molecular visualization systems. Springer Singapore 2018-09-05 /pmc/articles/PMC7099538/ /pubmed/32240387 http://dx.doi.org/10.1186/s42492-018-0007-0 Text en © The Author(s) 2018 Open AccessThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. |
spellingShingle | Review Gui, Sheng Khan, Dawar Wang, Qin Yan, Dong-Ming Lu, Ben-Zhuo Frontiers in biomolecular mesh generation and molecular visualization systems |
title | Frontiers in biomolecular mesh generation and molecular visualization systems |
title_full | Frontiers in biomolecular mesh generation and molecular visualization systems |
title_fullStr | Frontiers in biomolecular mesh generation and molecular visualization systems |
title_full_unstemmed | Frontiers in biomolecular mesh generation and molecular visualization systems |
title_short | Frontiers in biomolecular mesh generation and molecular visualization systems |
title_sort | frontiers in biomolecular mesh generation and molecular visualization systems |
topic | Review |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7099538/ https://www.ncbi.nlm.nih.gov/pubmed/32240387 http://dx.doi.org/10.1186/s42492-018-0007-0 |
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