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Physics-based visual characterization of molecular interaction forces

Autor
Hermosilla, P.; Estrada, J.; Guallar, V.; Ropinski, T.; Vinacua, A.; Vazquez, P.
Tipus d'activitat
Article en revista
Revista
IEEE transactions on visualization and computer graphics
Data de publicació
2017-01-01
Volum
23
Número
1
Pàgina inicial
731
Pàgina final
740
DOI
https://doi.org/10.1109/TVCG.2016.2598825 Obrir en finestra nova
Repositori
http://hdl.handle.net/2117/98321 Obrir en finestra nova
URL
http://ieeexplore.ieee.org/document/7539331/ Obrir en finestra nova
Resum
Molecular simulations are used in many areas of biotechnology, such as drug design and enzyme engineering. Despite the development of automatic computational protocols, analysis of molecular interactions is still a major aspect where human comprehension and intuition are key to accelerate, analyze, and propose modifications to the molecule of interest. Most visualization algorithms help the users by providing an accurate depiction of the spatial arrangement: the atoms involved in inter-molecular...
Citació
Hermosilla, P., Estrada, J., Guallar, V., Ropinski, T., Vinacua, A., Vázquez, P. Physics-based visual characterization of molecular interaction forces. "IEEE transactions on visualization and computer graphics", 1 Gener 2017, vol. 23, núm. 1, p. 731-740.
Paraules clau
Computational modeling, Data visualization, Drugs, Proteins, Three-dimensional displays, Two dimensional displays, Visualization
Grup de recerca
ViRVIG - Grup de Recerca en Visualització, Realitat Virtual i Interacció Gràfica

Participants