메뉴 건너뛰기




Volumn 8, Issue 1, 2011, Pages 59-68

Fast surface-based travel depth estimation algorithm for macromolecule surface shape description

Author keywords

computational geometry; Depth; molecular surface; shape description.; structural genomics

Indexed keywords

ACCURATE ESTIMATION; ACTIVE SITE; COLEMAN; CONVEX HULL; DEPTH; DEPTH ESTIMATION; DIJKSTRA'S SHORTEST PATH ALGORITHM; EXISTING METHOD; HIGH RESOLUTION; MOLECULAR DEPTH; MOLECULAR SURFACES; PHYSICAL INTERPRETATION; PROCESSING TIME; SHAPE DESCRIPTION; SOLVENT MOLECULES; STRUCTURAL GENOMICS; SURFACE SHAPE; SURFACE-BASED;

EID: 78449289709     PISSN: 15455963     EISSN: None     Source Type: Journal    
DOI: 10.1109/TCBB.2009.53     Document Type: Article
Times cited : (11)

References (22)
  • 1
    • 33748102999 scopus 로고    scopus 로고
    • Travel depth, a new shape descriptor for macromolecules: Application to ligand binding
    • R. G. Coleman and K. A. Sharp, "Travel Depth, a New Shape Descriptor for Macromolecules: Application to Ligand Binding", J. Molecular Biology, vol. 362, pp. 441-458, 2006.
    • (2006) J. Molecular Biology , vol.362 , pp. 441-458
    • Coleman, R.G.1    Sharp, K.A.2
  • 2
    • 34250118137 scopus 로고
    • Curvature and the evolution of fronts
    • J. Sethian, "Curvature and the Evolution of Fronts", Comm. Math. Physics, vol. 101, no. 4, pp. 487-499, 1985.
    • (1985) Comm. Math. Physics , vol.101 , Issue.4 , pp. 487-499
    • Sethian, J.1
  • 3
    • 0036590407 scopus 로고    scopus 로고
    • Normal vector voting: Crease detection and curvature estimation on large, noisy meshes
    • D. Page, Y. Sun, A. Koschan, J. Paik, and M. Abidi, "Normal Vector Voting: Crease Detection and Curvature Estimation on Large, Noisy Meshes", Graphical Models, vol. 64, pp. 199-229, 2002.
    • (2002) Graphical Models , vol.64 , pp. 199-229
    • Page, D.1    Sun, Y.2    Koschan, A.3    Paik, J.4    Abidi, M.5
  • 4
    • 29244451863 scopus 로고    scopus 로고
    • Progress in scientific visualization
    • N. Max, "Progress in Scientific Visualization", Visual Computer, vol. 21, no. 12, pp. 979-984, 2005.
    • (2005) Visual Computer , vol.21 , Issue.12 , pp. 979-984
    • Max, N.1
  • 5
    • 0000538815 scopus 로고
    • Analytic molecular surface calculation
    • M. L. Connolly, "Analytic Molecular Surface Calculation", J. Applied Crystallography, vol. 6, pp. 548-558, 1983.
    • (1983) J. Applied Crystallography , vol.6 , pp. 548-558
    • Connolly, M.L.1
  • 7
    • 0031687653 scopus 로고    scopus 로고
    • Anatomy of protein pockets and cavities: Measurement of binding site geometry and implications for ligand design
    • J. Liang, H. Edelsbrunner, and C. Woodward, "Anatomy of Protein Pockets and Cavities: Measurement of Binding Site Geometry and Implications for Ligand Design", Protein Science, vol. 7, no. 9, pp. 1884-1897, 1998.
    • (1998) Protein Science , vol.7 , Issue.9 , pp. 1884-1897
    • Liang, J.1    Edelsbrunner, H.2    Woodward, C.3
  • 8
    • 0034625144 scopus 로고    scopus 로고
    • A binding pocket for a small molecule inhibitor of HIV-1 entry within the transmembrane helices of CCR5
    • T. Dragic et al., "A Binding Pocket for a Small Molecule Inhibitor of HIV-1 Entry within the Transmembrane Helices of CCR5", Proc. Nat'l Academy of Sciences USA, vol. 97, no. 10, pp. 5639-5644, 2000.
    • (2000) Proc. Nat'l Academy of Sciences USA , vol.97 , Issue.10 , pp. 5639-5644
    • Dragic, T.1
  • 9
    • 0030447531 scopus 로고    scopus 로고
    • Protein clefts in molecular recognition and function
    • R. Laskowski, N. Luscombe, M. Swindells, and J. Thornton, "Protein Clefts in Molecular Recognition and Function", Protein Science, vol. 5, no. 12, pp. 2438-2452, 1996.
    • (1996) Protein Science , vol.5 , Issue.12 , pp. 2438-2452
    • Laskowski, R.1    Luscombe, N.2    Swindells, M.3    Thornton, J.4
  • 11
    • 0030404988 scopus 로고    scopus 로고
    • HOLE: A program for the analysis of the pore dimensions of ion channel structural models
    • O. Smart, J. Neduvelil, X. Wang, B. Wallace, and M. Sansom, "HOLE: A Program for the Analysis of the Pore Dimensions of Ion Channel Structural Models", J. Molecular Graphics, vol. 14, no. 6, pp. 354-360, 1996.
    • (1996) J. Molecular Graphics , vol.14 , Issue.6 , pp. 354-360
    • Smart, O.1    Neduvelil, J.2    Wang, X.3    Wallace, B.4    Sansom, M.5
  • 12
    • 0034018755 scopus 로고    scopus 로고
    • Mapping of protein surface cavities and prediction of enzyme class by a self-organizing neural network
    • M. Stahl, C. Taroni, and G. Schneider, "Mapping of Protein Surface Cavities and Prediction of Enzyme Class by a Self-Organizing Neural Network", Protein Eng., vol. 13, no. 2, pp. 83-88, 2000.
    • (2000) Protein Eng. , vol.13 , Issue.2 , pp. 83-88
    • Stahl, M.1    Taroni, C.2    Schneider, G.3
  • 14
    • 33646881516 scopus 로고    scopus 로고
    • Geodesic remeshing using front propagation
    • G. Peyré and L. Cohen, "Geodesic Remeshing Using Front Propagation", Int'l J. Computer Vision, vol. 69, no. 1, pp. 145-156, 2006.
    • (2006) Int'l J. Computer Vision , vol.69 , Issue.1 , pp. 145-156
    • Peyré, G.1    Cohen, L.2
  • 16
    • 0019999414 scopus 로고
    • Geometric modeling using octree encoding
    • D. Meagher, "Geometric Modeling Using Octree Encoding", Computer Graphics and Image Processing, vol. 19, no. 2, pp. 129-147, 1982.
    • (1982) Computer Graphics and Image Processing , vol.19 , Issue.2 , pp. 129-147
    • Meagher, D.1
  • 17
    • 0025968022 scopus 로고
    • Two-dimensionally infinite polyhedra with vertices related by symmetry operations
    • D. Harker, "Two-Dimensionally Infinite Polyhedra with Vertices Related by Symmetry Operations", Proc. Nat'l Academy of Sciences USA, vol. 88, no. 2, pp. 585-587, 1991.
    • (1991) Proc. Nat'l Academy of Sciences USA , vol.88 , Issue.2 , pp. 585-587
    • Harker, D.1
  • 18
    • 0026730489 scopus 로고
    • Structure-based strategies for drug design and discovery
    • I. Kuntz, "Structure-Based Strategies for Drug Design and Discovery", Science, vol. 257, no. 5073, pp. 1078-1082, 1992.
    • (1992) Science , vol.257 , Issue.5073 , pp. 1078-1082
    • Kuntz, I.1
  • 19
    • 33847207834 scopus 로고    scopus 로고
    • Molecular similarity analysis in virtual screening: Foundations, limitations and novel approaches
    • H. Eckert and J. Bajorath, "Molecular Similarity Analysis in Virtual Screening: Foundations, Limitations and Novel Approaches", Drug Discovery Today, vol. 12, nos. 5/6, pp. 225-233, 2007.
    • (2007) Drug Discovery Today , vol.12 , Issue.5-6 , pp. 225-233
    • Eckert, H.1    Bajorath, J.2
  • 20
    • 33748779553 scopus 로고    scopus 로고
    • Insights into protein-protein interfaces using a bayesian network prediction method
    • J. R. Bradford, C. J. Needham, A. J. Bulpitt, and D. R. Westhead, "Insights into Protein-Protein Interfaces Using a Bayesian Network Prediction Method", J. Molecular Biology, vol. 362, pp. 365-386, 2006.
    • (2006) J. Molecular Biology , vol.362 , pp. 365-386
    • Bradford, J.R.1    Needham, C.J.2    Bulpitt, A.J.3    Westhead, D.R.4
  • 21
    • 14144254344 scopus 로고    scopus 로고
    • Identification of the ligand binding sites on the molecular surface of proteins
    • K. Kinoshita and H. Nakamura, "Identification of the Ligand Binding Sites on the Molecular Surface of Proteins", Protein Science, vol. 14, no. 3, pp. 711-718, 2005.
    • (2005) Protein Science , vol.14 , Issue.3 , pp. 711-718
    • Kinoshita, K.1    Nakamura, H.2
  • 22
    • 0030580057 scopus 로고    scopus 로고
    • Antibody-antigen interactions: Contact analysis and binding site topography
    • R. MacCallum, A. Martin, and J. Thornton, "Antibody-Antigen Interactions: Contact Analysis and Binding Site Topography", J. Molecular Biology, vol. 262, no. 5, pp. 732-745, 1996.
    • (1996) J. Molecular Biology , vol.262 , Issue.5 , pp. 732-745
    • MacCallum, R.1    Martin, A.2    Thornton, J.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.