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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...

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Detalles Bibliográficos
Autores principales: Gui, Sheng, Khan, Dawar, Wang, Qin, Yan, Dong-Ming, Lu, Ben-Zhuo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Singapore 2018
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.
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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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