Accelerated Visualization of Transparent Molecular Surfaces in
Molecular Dynamics

D 2016

Accelerated Visualization of Transparent Molecular Surfaces in Molecular Dynamics

JURČÍK, Adam, Julius PARULEK, Jiří SOCHOR a Barbora KOZLÍKOVÁ

Základní údaje

Originální název

Accelerated Visualization of Transparent Molecular Surfaces in Molecular Dynamics

Autoři

JURČÍK, Adam (203 Česká republika, domácí), Julius PARULEK (703 Slovensko), Jiří SOCHOR (203 Česká republika, domácí) a Barbora KOZLÍKOVÁ (203 Česká republika, garant, domácí)

Vydání

Taipei, Taiwan, IEEE Pacific Visualization Symposium 2016, od s. 112-119, 8 s. 2016

Nakladatel

IEEE

Další údaje

Jazyk

angličtina

Typ výsledku

Stať ve sborníku

Obor

10201 Computer sciences, information science, bioinformatics

Stát vydavatele

Tchaj-wan

Utajení

není předmětem státního či obchodního tajemství

Forma vydání

paměťový nosič (CD, DVD, flash disk)

Kód RIV

RIV/00216224:14330/16:00089793

Organizační jednotka

Fakulta informatiky

ISBN

978-1-5090-1451-4

ISSN

DOI

http://dx.doi.org/10.1109/PACIFICVIS.2016.7465258

UT WoS

000386185000015

Klíčová slova česky

Počítačová geometrie a modelování objektů;hraniční reprezentace;3D grafika a realismus;Algoritmy viditelnosti čar/povrchů

Klíčová slova anglicky

Computational Geometry and Object Modeling;Boundary representations; Three-Dimensional Graphics and Realism;Visible line/surface algorithms

Štítky

firank_B

Příznaky

Mezinárodní význam, Recenzováno

Změněno: 14. 5. 2020 15:20, RNDr. Pavel Šmerk, Ph.D.

Anotace

V originále

The reactivity of the biomolecular structures is highly influenced by their structural features. Thus, studying these features along with the exploration of their dynamic behavior helps to understand the processes ongoing in living cells. This can be reached by the visual representation of these processes as visualization is one of the most natural ways to convey such information. However, none of the currently available techniques provides the biochemists with an intuitive real-time representation of the dynamic movements of molecules and precise geometrical based extraction of their structural features performed instantly. In this paper we introduce such a technique enabling the user to compute and also to visualize the molecular surface along with inner voids. To obtain a better insight into the molecule, our technique enables to visualize the molecular surface transparently. The opacity can be adjusted by changing user-defined parameters in order to enhance the perception of the surfaces of inner voids. All integrated algorithms run in real-time which gives the user a big variety of exploration possibilities. The importance of our approach is even amplified with respect to the fact that currently the size of molecular dynamics simulations is increasing dramatically and offline rendering thus becomes impracticable. The usability of our technique was evaluated by the domain experts.

Návaznosti

MUNI/A/0935/2015, interní kód MU

Název: Zapojení studentů Fakulty informatiky do mezinárodní vědecké komunity (Akronym: SKOMU)

Investor: Masarykova univerzita, Zapojení studentů Fakulty informatiky do mezinárodní vědecké komunity, DO R. 2020_Kategorie A - Specifický výzkum - Studentské výzkumné projekty

Citovat

JURČÍK, Adam, Julius PARULEK, Jiří SOCHOR a Barbora KOZLÍKOVÁ. Accelerated Visualization of Transparent Molecular Surfaces in Molecular Dynamics. In IEEE Pacific Visualization Symposium 2016. Taipei, Taiwan: IEEE, 2016, s. 112-119. ISBN 978-1-5090-1451-4. Dostupné z: https://dx.doi.org/10.1109/PACIFICVIS.2016.7465258.

@inproceedings{1343724,
   author = {Jurčík, Adam and Parulek, Julius and Sochor, Jiří and Kozlíková, Barbora},
   address = {Taipei, Taiwan},
   booktitle = {IEEE Pacific Visualization Symposium 2016},
   doi = {http://dx.doi.org/10.1109/PACIFICVIS.2016.7465258},
   keywords = {Computational Geometry and Object Modeling;Boundary representations; Three-Dimensional Graphics and Realism;Visible line/surface algorithms},
   howpublished = {paměťový nosič},
   language = {eng},
   location = {Taipei, Taiwan},
   isbn = {978-1-5090-1451-4},
   pages = {112-119},
   publisher = {IEEE},
   title = {Accelerated Visualization of Transparent Molecular Surfaces in Molecular Dynamics},
   year = {2016}
}

TY  - JOUR
ID  - 1343724
AU  - Jurčík, Adam - Parulek, Julius - Sochor, Jiří - Kozlíková, Barbora
PY  - 2016
TI  - Accelerated Visualization of Transparent Molecular Surfaces in Molecular Dynamics
PB  - IEEE
CY  - Taipei, Taiwan
SN  - 9781509014514
KW  - Computational Geometry and Object Modeling;Boundary representations
KW  - Three-Dimensional Graphics and Realism;Visible line/surface algorithms
N2  - The reactivity of the biomolecular structures is highly influenced by their structural features. Thus, studying these features along with the exploration of their dynamic behavior helps to understand the processes ongoing in living cells. This can be reached by the visual representation of these processes as visualization is one of the most natural ways to convey such information. However, none of the currently available techniques provides the biochemists with an intuitive real-time representation of the dynamic movements of molecules and precise geometrical based extraction of their structural features performed instantly. In this paper we introduce such a technique enabling the user to compute and also to visualize the molecular surface along with inner voids. To obtain a better insight into the molecule, our technique enables to visualize the molecular surface transparently. The opacity can be adjusted by changing user-defined parameters in order to enhance the perception of the surfaces of inner voids. All integrated algorithms run in real-time which gives the user a big variety of exploration possibilities. The importance of our approach is even amplified with respect to the fact that currently the size of molecular dynamics simulations is increasing dramatically and offline rendering thus becomes impracticable. The usability of our technique was evaluated by the domain experts.
ER  -

JURČÍK, Adam, Julius PARULEK, Jiří SOCHOR a Barbora KOZLÍKOVÁ. Accelerated Visualization of Transparent Molecular Surfaces in Molecular Dynamics. In \textit{IEEE Pacific Visualization Symposium 2016}. Taipei, Taiwan: IEEE, 2016, s.~112-119. ISBN~978-1-5090-1451-4. Dostupné z: https://dx.doi.org/10.1109/PACIFICVIS.2016.7465258.

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