Compact storage of additively weighted Voronoi diagrams

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23520%2F22%3A43967390" target="_blank" >RIV/49777513:23520/22:43967390 - isvavai.cz</a>

Výsledek na webu

<a href="https://link.springer.com/article/10.1007/s00371-022-02667-z" target="_blank" >https://link.springer.com/article/10.1007/s00371-022-02667-z</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1007/s00371-022-02667-z" target="_blank" >10.1007/s00371-022-02667-z</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Compact storage of additively weighted Voronoi diagrams

Popis výsledku v původním jazyce

Voronoi diagrams and their dual tetrahedral structures are often utilized in various analyses of protein models where atoms are represented as balls. The additively weighted kind of Voronoi diagrams (aw-VD) is particularly useful in this area because it includes the variability of ball size. The dynamic behavior of proteins can be realistically modeled by a simulation of molecular dynamics recording atom positions at discrete snapshots of time. However, aw-VDs for these snapshots require a lot of storage. This is where domain-specific compression could help, but available algorithms are oriented primarily to the compression of ordinary tetrahedral meshes, not to aw-VDs whose dual tetrahedral structure may have anomalies complicating duality inversion and tetrahedral mesh traversal. Therefore, we propose a method that can compactly store the dual tetrahedral structure. The method is built on general ideas of an already known cut-border machine and improves these ideas in several ways so it can be applied to aw-VDs and perform well on protein data.

Název v anglickém jazyce

Compact storage of additively weighted Voronoi diagrams

Popis výsledku anglicky

Voronoi diagrams and their dual tetrahedral structures are often utilized in various analyses of protein models where atoms are represented as balls. The additively weighted kind of Voronoi diagrams (aw-VD) is particularly useful in this area because it includes the variability of ball size. The dynamic behavior of proteins can be realistically modeled by a simulation of molecular dynamics recording atom positions at discrete snapshots of time. However, aw-VDs for these snapshots require a lot of storage. This is where domain-specific compression could help, but available algorithms are oriented primarily to the compression of ordinary tetrahedral meshes, not to aw-VDs whose dual tetrahedral structure may have anomalies complicating duality inversion and tetrahedral mesh traversal. Therefore, we propose a method that can compactly store the dual tetrahedral structure. The method is built on general ideas of an already known cut-border machine and improves these ideas in several ways so it can be applied to aw-VDs and perform well on protein data.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10201 - Computer sciences, information science, bioinformathics (hardware development to be 2.2, social aspect to be 5.8)

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2022

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Visual Computer

ISSN

0178-2789

e-ISSN

1432-2315

Svazek periodika

39

Číslo periodika v rámci svazku

11

Stát vydavatele periodika

DE - Spolková republika Německo

Počet stran výsledku

15

Strana od-do

5389-5404

Kód UT WoS článku

000866293500001

EID výsledku v databázi Scopus

2-s2.0-85139672693