메뉴 건너뛰기




Volumn , Issue , 2012, Pages 138-143

Tunnels and voids in molecules via Voronoi diagram

Author keywords

Beta complex; Beta shape; External structure; Molecular structure; Quasi triangulation; Voronoi diagram

Indexed keywords

ATOMS IN MOLECULES; BETA-COMPLEX; BETA-SHAPE; QUASI-TRIANGULATION; SOLVENT ENVIRONMENTS; TIME COMPLEXITY; VORONOI DIAGRAMS;

EID: 84866789637     PISSN: None     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.1109/ISVD.2012.25     Document Type: Conference Paper
Times cited : (8)

References (28)
  • 2
    • 33646143990 scopus 로고    scopus 로고
    • Recognition of docking sites on a protein using β-shape based on Voronoi diagram of atoms
    • D.-S. Kim, C.-H. Cho, D. Kim, and Y. Cho, "Recognition of docking sites on a protein using β-shape based on Voronoi diagram of atoms," Computer-Aided Design, vol. 38, no. 5, pp. 431-443, 2006.
    • (2006) Computer-Aided Design , vol.38 , Issue.5 , pp. 431-443
    • Kim, D.-S.1    Cho, C.-H.2    Kim, D.3    Cho, Y.4
  • 4
  • 5
  • 6
    • 0027995683 scopus 로고
    • Detection, delineation, measurement and display of cavities in macromolecular structures
    • G. J. Kleywegt and T. A. Jones, "Detection, delineation, measurement and display of cavities in macromolecular structures," Acta Crystallographica Section D, vol. 50, pp. 178-185, 1994.
    • (1994) Acta Crystallographica Section D , vol.50 , pp. 178-185
    • Kleywegt, G.J.1    Jones, T.A.2
  • 7
    • 0028881975 scopus 로고
    • SURFNET: A program for visualizing molecular surfaces, cavities, and intermolecular interactions
    • R. A. Laskowski, "SURFNET: A program for visualizing molecular surfaces, cavities, and intermolecular interactions," Journal of Molecular Graphics, vol. 13, pp. 323-330, 1995.
    • (1995) Journal of Molecular Graphics , vol.13 , pp. 323-330
    • Laskowski, R.A.1
  • 10
    • 0346945148 scopus 로고    scopus 로고
    • Pymol: An open-source molecular graphics tool
    • W. L. DeLano, "Pymol: An open-source molecular graphics tool," CCP4 Newsletter, 2002.
    • (2002) CCP4 Newsletter
    • De Lano, W.L.1
  • 12
    • 33847076903 scopus 로고    scopus 로고
    • Identification of tunnels in proteins, nucleic acids inorganic materials and molecular ensembles
    • J. Damborský, M. Petřek, P. Banáš, and M. Otyepka, "Identification of tunnels in proteins, nucleic acids inorganic materials and molecular ensembles," Biotechnology Journal, vol. 2, pp. 62-67, 2007.
    • (2007) Biotechnology Journal , vol.2 , pp. 62-67
    • Damborský, J.1    Petřek, M.2    Banáš, P.3    Otyepka, M.4
  • 13
    • 35748972048 scopus 로고    scopus 로고
    • MOLE: A Voronoi diagram-based explorer of molecular channels, pores, and tunnels
    • M. Petrek, P. Kosinova, J. Koca, and M. Otyepka, "MOLE: A Voronoi diagram-based explorer of molecular channels, pores, and tunnels," Structure, vol. 15, no. 11, pp. 1357-1363, 2007.
    • (2007) Structure , vol.15 , Issue.11 , pp. 1357-1363
    • Petrek, M.1    Kosinova, P.2    Koca, J.3    Otyepka, M.4
  • 14
    • 84861407812 scopus 로고    scopus 로고
    • Computation of tunnels in protein molecules using Delaunay triangulation
    • P. Medek, P. Beneš, and J. Sochor, "Computation of tunnels in protein molecules using Delaunay triangulation," Journal of WSCG, vol. 15, pp. 107-114, 2007.
    • (2007) Journal of WSCG , vol.15 , pp. 107-114
    • Medek, P.1    Beneš, P.2    Sochor, J.3
  • 15
    • 42149108442 scopus 로고    scopus 로고
    • Visualization of tunnels in protein molecules
    • B. Kozlíová, F. Andres, and J. Sochor, "Visualization of tunnels in protein molecules," in AfriGraph 2007, 2007, pp. 111-209.
    • (2007) AfriGraph 2007 , pp. 111-209
    • Kozlíová, B.1    Andres, F.2    Sochor, J.3
  • 18
    • 77955773185 scopus 로고    scopus 로고
    • Approximating the pathway axis and the persistence diagrams for a collection of balls in 3- space
    • E. Yaffe and D. Halperin, "Approximating the pathway axis and the persistence diagrams for a collection of balls in 3- space," Discrete & Computational Geometry, vol. 44, pp. 660-685, 2010.
    • (2010) Discrete & Computational Geometry , vol.44 , pp. 660-685
    • Yaffe, E.1    Halperin, D.2
  • 19
    • 57649229060 scopus 로고    scopus 로고
    • HOLLOW: Generating accurate representations of channel and interior surfaces in molecular structures
    • B. K. Ho and F. Gruswitz, "HOLLOW: Generating accurate representations of channel and interior surfaces in molecular structures," BMC Structural Biology, vol. 8, no. 1, p. 49, 2008.
    • (2008) BMC Structural Biology , vol.8 , Issue.1 , pp. 49
    • Ho, B.K.1    Gruswitz, F.2
  • 20
    • 58849142521 scopus 로고    scopus 로고
    • Finding and characterizing tunnels in macromolecules with application to ion channels and pores
    • R. G. Coleman and K. A. Sharp, "Finding and characterizing tunnels in macromolecules with application to ion channels and pores," Biophysical Journal, vol. 96, pp. 632-645, 2009.
    • (2009) Biophysical Journal , vol.96 , pp. 632-645
    • Coleman, R.G.1    Sharp, K.A.2
  • 22
    • 22944434527 scopus 로고    scopus 로고
    • Euclidean Voronoi diagram of 3D balls and its computation via tracing edges
    • D.-S. Kim, Y. Cho, and D. Kim, "Euclidean Voronoi diagram of 3D balls and its computation via tracing edges," Computer- Aided Design, vol. 37, no. 13, pp. 1412-1424, 2005.
    • (2005) Computer- Aided Design , vol.37 , Issue.13 , pp. 1412-1424
    • Kim, D.-S.1    Cho, Y.2    Kim, D.3
  • 23
    • 77955565392 scopus 로고    scopus 로고
    • Quasi-worlds and quasi-operators on quasi-triangulations
    • D.-S. Kim, Y. Cho, and K. Sugihara, "Quasi-worlds and quasi-operators on quasi-triangulations," Computer-Aided Design, vol. 42, no. 10, pp. 874-888, 2010.
    • (2010) Computer-Aided Design , vol.42 , Issue.10 , pp. 874-888
    • Kim, D.-S.1    Cho, Y.2    Sugihara, K.3
  • 24
    • 33745813533 scopus 로고    scopus 로고
    • Quasitriangulation and interworld data structure in three dimensions
    • D.-S. Kim, D. Kim, Y. Cho, and K. Sugihara, "Quasitriangulation and interworld data structure in three dimensions," Computer-Aided Design, vol. 38, no. 7, pp. 808-819, 2006.
    • (2006) Computer-Aided Design , vol.38 , Issue.7 , pp. 808-819
    • Kim, D.-S.1    Kim, D.2    Cho, Y.3    Sugihara, K.4
  • 25
    • 77955569416 scopus 로고    scopus 로고
    • Threedimensional beta-shapes and beta-complexes via quasitriangulation
    • D.-S. Kim, Y. Cho, K. Sugihara, J. Ryu, and D. Kim, " Threedimensional beta-shapes and beta-complexes via quasitriangulation," Computer-Aided Design, vol. 42, no. 10, pp. 911-929, 2010.
    • (2010) Computer-Aided Design , vol.42 , Issue.10 , pp. 911-929
    • Kim, D.-S.1    Cho, Y.2    Sugihara, K.3    Ryu, J.4    Kim, D.5
  • 27
    • 20544433165 scopus 로고
    • Van der Waals volumes and radii
    • A. Bondi, "van der Waals volumes and radii," Journal of Physical Chemistry, vol. 68, pp. 441-451, 1964.
    • (1964) Journal of Physical Chemistry , vol.68 , pp. 441-451
    • Bondi, A.1
  • 28
    • 84862776651 scopus 로고    scopus 로고
    • Beta-decomposition for the volume and area of the union of three-dimensional balls and their offsets
    • DOI: 10.1002/jcc.22956
    • D.-S. Kim, J. Ryu, H. Shin, and Y. Cho, "Beta-decomposition for the volume and area of the union of three-dimensional balls and their offsets," Journal of Computational Chemistry, vol. (DOI: 10.1002/jcc.22956), 2011.
    • (2011) Journal of Computational Chemistry
    • Kim, D.-S.1    Ryu, J.2    Shin, H.3    Cho, Y.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.