On the definition and the construction of pockets in macromolecules
Edelsbrunner H, Facello M, Liang J. 1998. On the definition and the construction of pockets in macromolecules. Discrete Applied Mathematics. 88(1–3), 83–102.
Journal Article
| Published
| English
Scopus indexed
Author
Edelsbrunner, HerbertISTA 
;
Facello, Michael;
Liang, Jie
;
Facello, Michael;
Liang, JieAbstract
The shape of a protein is important for its functions, This includes the location and size of identifiable regions in its complement space. We formally define pockets as regions in the complement with limited accessibility from the outside. Pockets can be efficiently constructed by an algorithm based on alpha complexes. The algorithm is implemented and applied to proteins with known three-dimensional conformations. 1998 Published by Elsevier Science B.V. All rights reserved.
Publishing Year
Date Published
1998-11-09
Journal Title
Discrete Applied Mathematics
Acknowledgement
The authors thank Ping Fu and Ernst Miicke for their contributions to the alpha shapes software in which the pockets software is embedded.
Volume
88
Issue
1-3
Page
83 - 102
ISSN
IST-REx-ID
Cite this
Edelsbrunner H, Facello M, Liang J. On the definition and the construction of pockets in macromolecules. Discrete Applied Mathematics. 1998;88(1-3):83-102. doi:10.1016/S0166-218X(98)00067-5
Edelsbrunner, H., Facello, M., & Liang, J. (1998). On the definition and the construction of pockets in macromolecules. Discrete Applied Mathematics. Elsevier. https://doi.org/10.1016/S0166-218X(98)00067-5
Edelsbrunner, Herbert, Michael Facello, and Jie Liang. “On the Definition and the Construction of Pockets in Macromolecules.” Discrete Applied Mathematics. Elsevier, 1998. https://doi.org/10.1016/S0166-218X(98)00067-5.
H. Edelsbrunner, M. Facello, and J. Liang, “On the definition and the construction of pockets in macromolecules,” Discrete Applied Mathematics, vol. 88, no. 1–3. Elsevier, pp. 83–102, 1998.
Edelsbrunner H, Facello M, Liang J. 1998. On the definition and the construction of pockets in macromolecules. Discrete Applied Mathematics. 88(1–3), 83–102.
Edelsbrunner, Herbert, et al. “On the Definition and the Construction of Pockets in Macromolecules.” Discrete Applied Mathematics, vol. 88, no. 1–3, Elsevier, 1998, pp. 83–102, doi:10.1016/S0166-218X(98)00067-5.
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