메뉴 건너뛰기




Volumn 14, Issue 2, 2005, Pages 316-328

Physicochemical and residue conservation calculations to improve the ranking of protein-protein docking solutions

Author keywords

Binding free energy; Computer simulations; Conservation index; Docking; Molecular recognition; Protein protein interaction

Indexed keywords

ANTIGEN ANTIBODY COMPLEX; ARTICLE; COMPUTER SIMULATION; ENERGY; EVOLUTION; MOLECULAR MODEL; PRIORITY JOURNAL; PROTEIN DOCKING; PROTEIN PROTEIN INTERACTION; STRUCTURE ANALYSIS;

EID: 13244277453     PISSN: 09618368     EISSN: None     Source Type: Journal    
DOI: 10.1110/ps.04941505     Document Type: Article
Times cited : (28)

References (52)
  • 1
    • 0038187616 scopus 로고    scopus 로고
    • Weighted geometric docking: Incorporating external information in the rotation-translation scan
    • Ben-Zeev, E. and Eisenstein, M. 2003. Weighted geometric docking: Incorporating external information in the rotation-translation scan. Proteins 52: 24-27.
    • (2003) Proteins , vol.52 , pp. 24-27
    • Ben-Zeev, E.1    Eisenstein, M.2
  • 3
    • 0346733329 scopus 로고    scopus 로고
    • Are protein-protein interfaces more conserved in sequence than the rest of the protein surface?
    • Caffrey, D.R., Somaroo, S., Hughes, J.D., Mintseris, J., and Huang, E.S. 2004. Are protein-protein interfaces more conserved in sequence than the rest of the protein surface? Protein Sci. 13: 190-202.
    • (2004) Protein Sci. , vol.13 , pp. 190-202
    • Caffrey, D.R.1    Somaroo, S.2    Hughes, J.D.3    Mintseris, J.4    Huang, E.S.5
  • 4
    • 0036468396 scopus 로고    scopus 로고
    • Protein-protein association kinetics and protein docking
    • Camacho, C.J. and Vajda, S. 2002. Protein-protein association kinetics and protein docking. Curr. Opin. Struct. Biol. 12: 3640.
    • (2002) Curr. Opin. Struct. Biol. , vol.12 , pp. 3640
    • Camacho, C.J.1    Vajda, S.2
  • 5
    • 0034663658 scopus 로고    scopus 로고
    • Scoring docked conformations generated by rigid-body protein-protein docking
    • Camacho, C.J., Gatchell, D.W., Kimura, S.R., and Vajda, S. 2000a. Scoring docked conformations generated by rigid-body protein-protein docking. Proteins 40: 525-537.
    • (2000) Proteins , vol.40 , pp. 525-537
    • Camacho, C.J.1    Gatchell, D.W.2    Kimura, S.R.3    Vajda, S.4
  • 6
    • 0034049350 scopus 로고    scopus 로고
    • Kinetics of desolvation-mediated protein-protein binding
    • Camacho, C.J., Kimura, S.R., DeLisi, C., and Vajda, S. 2000b. Kinetics of desolvation-mediated protein-protein binding. Biophys. J. 78: 1094-1105.
    • (2000) Biophys. J. , vol.78 , pp. 1094-1105
    • Camacho, C.J.1    Kimura, S.R.2    DeLisi, C.3    Vajda, S.4
  • 7
    • 0038526303 scopus 로고    scopus 로고
    • ZDOCK: An initial-stage protein-docking algorithm
    • Chen, R., Li, L., and Weng, Z. 2003a. ZDOCK: An initial-stage protein-docking algorithm. Proteins 52: 80-87.
    • (2003) Proteins. , vol.52 , pp. 80-87
    • Chen, R.1    Li, L.2    Weng, Z.3
  • 8
    • 0038187615 scopus 로고    scopus 로고
    • A protein-protein docking benchmark
    • Chen, R., Mintseris, J., Janin, J., and Weng, Z. 2003b. A protein-protein docking benchmark. Proteins 52: 88-91.
    • (2003) Proteins , vol.52 , pp. 88-91
    • Chen, R.1    Mintseris, J.2    Janin, J.3    Weng, Z.4
  • 9
    • 0027530108 scopus 로고
    • Protein docking algorithms: Simulating molecular recognition
    • Cherfils, J. and Janin, J. 1993. Protein docking algorithms: Simulating molecular recognition. Curr. Opin. Struct. Biol. 3: 265-269.
    • (1993) Curr. Opin. Struct. Biol. , vol.3 , pp. 265-269
    • Cherfils, J.1    Janin, J.2
  • 10
    • 0037007068 scopus 로고    scopus 로고
    • Computational mapping identifies the binding sites of organic solvents on proteins
    • Dennis, S., Kortvelyesi, T., and Vajda, S. 2002. Computational mapping identifies the binding sites of organic solvents on proteins. Proc. Natl. Acad. Sci. 99: 4290-4295.
    • (2002) Proc. Natl. Acad. Sci. , vol.99 , pp. 4290-4295
    • Dennis, S.1    Kortvelyesi, T.2    Vajda, S.3
  • 12
    • 0037442962 scopus 로고    scopus 로고
    • HADDOCK: A protein-protein docking approach based on biochemical or biophysical information
    • Dominguez, C., Boelens, R., and Bonvin, A.M. 2003. HADDOCK: A protein-protein docking approach based on biochemical or biophysical information. J. Am. Chem. Soc. 125: 1731-1737.
    • (2003) J. Am. Chem. Soc. , vol.125 , pp. 1731-1737
    • Dominguez, C.1    Boelens, R.2    Bonvin, A.M.3
  • 13
    • 0035025191 scopus 로고    scopus 로고
    • DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases
    • Ewing, T.J., Makino, S., Skillman, A.G., and Kuntz, I.D. 2001. DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases. J. Comput. Aided Mol. Des. 15: 411-428.
    • (2001) J. Comput. Aided Mol. Des. , vol.15 , pp. 411-428
    • Ewing, T.J.1    Makino, S.2    Skillman, A.G.3    Kuntz, I.D.4
  • 14
    • 0037138706 scopus 로고    scopus 로고
    • TreeDock: A tool for protein docking based on minimizing van der Waals energies
    • Fahmy, A. and Wagner, G. 2002. TreeDock: A tool for protein docking based on minimizing van der Waals energies. J. Am. Chem. Soc. 124: 1241-1250.
    • (2002) J. Am. Chem. Soc. , vol.124 , pp. 1241-1250
    • Fahmy, A.1    Wagner, G.2
  • 15
    • 0031565730 scopus 로고    scopus 로고
    • Modelling protein docking using shape complementarity, electrostatics and biochemical information
    • Gabb, H.A., Jackson, R.M., and Sternberg, M.J. 1997. Modelling protein docking using shape complementarity, electrostatics and biochemical information. J. Mol. Biol. 272: 106-120.
    • (1997) J. Mol. Biol. , vol.272 , pp. 106-120
    • Gabb, H.A.1    Jackson, R.M.2    Sternberg, M.J.3
  • 16
    • 0038697840 scopus 로고    scopus 로고
    • GAPDOCK: A Genetic Algorithm Approach to Protein Docking in CAPRI round 1
    • Gardiner, E.J., Willett, P., and Artymiuk, P.J. 2003. GAPDOCK: A Genetic Algorithm Approach to Protein Docking in CAPRI round 1. Proteins 52: 10-14.
    • (2003) Proteins , vol.52 , pp. 10-14
    • Gardiner, E.J.1    Willett, P.2    Artymiuk, P.J.3
  • 17
    • 2542445427 scopus 로고    scopus 로고
    • ConSurf: Identification of functional regions in proteins by surface-mapping of phylogenetic information
    • Glaser, F., Pupko, T., Paz, I., Bell, R.E., Bechor-Shental, D., Martz, E., and Ben-Tal, N. 2003. ConSurf: Identification of functional regions in proteins by surface-mapping of phylogenetic information. Bioinformatics 19: 163-164.
    • (2003) Bioinformatics , vol.19 , pp. 163-164
    • Glaser, F.1    Pupko, T.2    Paz, I.3    Bell, R.E.4    Bechor-Shental, D.5    Martz, E.6    Ben-Tal, N.7
  • 18
    • 0026656815 scopus 로고
    • Exhaustive matching of the entire protein sequence database
    • Gonnet, G.H., Cohen, M.A., and Benner, S.A. 1992. Exhaustive matching of the entire protein sequence database. Science 256: 1443-1445.
    • (1992) Science , vol.256 , pp. 1443-1445
    • Gonnet, G.H.1    Cohen, M.A.2    Benner, S.A.3
  • 19
    • 1842595135 scopus 로고    scopus 로고
    • A novel method for scoring of docked protein complexes using predicted protein-protein binding sites
    • Gottschalk, K.E., Neuvirth, H., and Schreiber, G. 2004. A novel method for scoring of docked protein complexes using predicted protein-protein binding sites. Protein Eng. Des. Sel. 17: 183-189.
    • (2004) Protein Eng. Des. Sel. , vol.17 , pp. 183-189
    • Gottschalk, K.E.1    Neuvirth, H.2    Schreiber, G.3
  • 20
    • 0038161052 scopus 로고    scopus 로고
    • Protein-protein docking with simultaneous optimization of rigid-body displacement and side-chain conformations
    • Gray, J.J., Moughon, S., Wang, C., Schueler-Furman, O., Kuhlman, B., Rohl, C.A., and Baker, D. 2003. Protein-protein docking with simultaneous optimization of rigid-body displacement and side-chain conformations. J. Mol. Biol. 331: 281-299.
    • (2003) J. Mol. Biol. , vol.331 , pp. 281-299
    • Gray, J.J.1    Moughon, S.2    Wang, C.3    Schueler-Furman, O.4    Kuhlman, B.5    Rohl, C.A.6    Baker, D.7
  • 21
    • 0036606483 scopus 로고    scopus 로고
    • Principles of docking: An overview of search algorithms and a guide to scoring functions
    • Halperin, I., Ma, B., Wolfson, H., and Nussinov, R. 2002. Principles of docking: An overview of search algorithms and a guide to scoring functions. Proteins 47: 409-443.
    • (2002) Proteins , vol.47 , pp. 409-443
    • Halperin, I.1    Ma, B.2    Wolfson, H.3    Nussinov, R.4
  • 22
    • 33748390341 scopus 로고    scopus 로고
    • Parametrized models of aqueous free energies of solvation based on pairwise descreening of solute atomic charges from a dielectric medium
    • Hawkins, G.D., Gramer, C.J., and Truhlar, D.G. 1996. Parametrized models of aqueous free energies of solvation based on pairwise descreening of solute atomic charges from a dielectric medium. J. Phys. Chem. 100: 19824-19839.
    • (1996) J. Phys. Chem. , vol.100 , pp. 19824-19839
    • Hawkins, G.D.1    Gramer, C.J.2    Truhlar, D.G.3
  • 23
    • 0027958638 scopus 로고
    • PUZZLE: A new method for automated protein docking based on surface shape complementarity
    • Helmer-Citterich, M. and Tramontane, A. 1994. PUZZLE: A new method for automated protein docking based on surface shape complementarity. J. Mol. Biol. 235: 1021-1031.
    • (1994) J. Mol. Biol. , vol.235 , pp. 1021-1031
    • Helmer-Citterich, M.1    Tramontane, A.2
  • 24
    • 0029421048 scopus 로고
    • Protein-protein recognition
    • Janin, J. 1995. Protein-protein recognition. Prog. Biophys. Mol. Biol. 64: 145-166.
    • (1995) Prog. Biophys. Mol. Biol. , vol.64 , pp. 145-166
    • Janin, J.1
  • 25
    • 0000043930 scopus 로고    scopus 로고
    • Solvation free energy of biomacromolecules: Parameters for a modified generalized Born model consistent with the AMBER force field
    • Jayaram, B., Sprous, D., and Beveridge, D.L. 1998. Solvation free energy of biomacromolecules: Parameters for a modified generalized Born model consistent with the AMBER force field. J. Phys. Chem. B 102: 9571-9576.
    • (1998) J. Phys. Chem. B , vol.102 , pp. 9571-9576
    • Jayaram, B.1    Sprous, D.2    Beveridge, D.L.3
  • 26
    • 0001101548 scopus 로고    scopus 로고
    • Free energy analysis of protein-DNA binding: The EcoRI endonuclease-DNA complex
    • Jayaram, B., McConnell, K.J., Dixit, S.B., and Beveridge, D.L. 1999. Free energy analysis of protein-DNA binding: The EcoRI endonuclease-DNA complex. J. Comput. Phys. 151: 333-357.
    • (1999) J. Comput. Phys. , vol.151 , pp. 333-357
    • Jayaram, B.1    McConnell, K.J.2    Dixit, S.B.3    Beveridge, D.L.4
  • 27
    • 0030028728 scopus 로고    scopus 로고
    • Principles of protein-protein interactions
    • Jones, S. and Thornton, J.M. 1996. Principles of protein-protein interactions. Proc. Natl. Acad. Sci. 93: 13-20.
    • (1996) Proc. Natl. Acad. Sci. , vol.93 , pp. 13-20
    • Jones, S.1    Thornton, J.M.2
  • 28
    • 0031565725 scopus 로고    scopus 로고
    • Prediction of protein-protein interaction sites using patch analysis
    • -. 1997. Prediction of protein-protein interaction sites using patch analysis. J. Mol. Biol. 272: 133-143.
    • (1997) J. Mol. Biol. , vol.272 , pp. 133-143
  • 29
    • 0026572775 scopus 로고
    • Molecular surface recognition: Determination of geometric fit between proteins and their ligands by correlation techniques
    • Katchalski-Katzir, E., Shariv, I., Eisenstein, M., Friesem, A.A., Aflalo, C., and Vakser, I.A. 1992. Molecular surface recognition: Determination of geometric fit between proteins and their ligands by correlation techniques. Proc. Natl. Acad. Sci. 89: 2195-2199.
    • (1992) Proc. Natl. Acad. Sci. , vol.89 , pp. 2195-2199
    • Katchalski-Katzir, E.1    Shariv, I.2    Eisenstein, M.3    Friesem, A.A.4    Aflalo, C.5    Vakser, I.A.6
  • 30
    • 0032522670 scopus 로고    scopus 로고
    • Morphology of protein-protein interfaces
    • Larsen, T.A., Olson, A.J., and Goodsell, D.S. 1998. Morphology of protein-protein interfaces. Structure 6: 421-421.
    • (1998) Structure , vol.6 , pp. 421-421
    • Larsen, T.A.1    Olson, A.J.2    Goodsell, D.S.3
  • 31
    • 0242299200 scopus 로고    scopus 로고
    • RDOCK: Refinement of rigid-body protein docking predictions
    • Li, L., Chen, R., and Weng, Z. 2003. RDOCK: Refinement of rigid-body protein docking predictions. Proteins 53: 693-707.
    • (2003) Proteins , vol.53 , pp. 693-707
    • Li, L.1    Chen, R.2    Weng, Z.3
  • 32
    • 0036468670 scopus 로고    scopus 로고
    • Evolutionary predictions of binding surfaces and interactions
    • Lichtarge, O. and Sowa, M.E. 2002. Evolutionary predictions of binding surfaces and interactions. Curr. Opin. Struct. Biol. 12: 21-27.
    • (2002) Curr. Opin. Struct. Biol. , vol.12 , pp. 21-27
    • Lichtarge, O.1    Sowa, M.E.2
  • 34
    • 0003187567 scopus 로고    scopus 로고
    • The atomic structure of protein-protein recognition sites
    • Lo Conte, L., Chothia, C., and Janin, J. 1999. The atomic structure of protein-protein recognition sites. J. Mol. Biol. 285: 2177-2198.
    • (1999) J. Mol. Biol. , vol.285 , pp. 2177-2198
    • Lo Conte, L.1    Chothia, C.2    Janin, J.3
  • 36
    • 1242339659 scopus 로고    scopus 로고
    • A family of evolution-entropy hybrid methods for ranking protein residues by importance
    • Mihalek, I., Res, I., and Lichtarge, O. 2004. A family of evolution-entropy hybrid methods for ranking protein residues by importance. J. Mol. Biol. 336: 1265-1282.
    • (2004) J. Mol. Biol. , vol.336 , pp. 1265-1282
    • Mihalek, I.1    Res, I.2    Lichtarge, O.3
  • 37
    • 0033562633 scopus 로고    scopus 로고
    • Use of pair potentials across protein interfaces in screening predicted docked complexes
    • Moont, G., Gabb, H.A., and Sternberg, M.J. 1999. Use of pair potentials across protein interfaces in screening predicted docked complexes. Proteins 35: 364-373.
    • (1999) Proteins , vol.35 , pp. 364-373
    • Moont, G.1    Gabb, H.A.2    Sternberg, M.J.3
  • 38
    • 11644261806 scopus 로고    scopus 로고
    • Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
    • Morris, G.M., Goodsell, D.S., Halliday, R.S., Huey, R., Hart, W.E., Belew, R.K., and Olson, A.J. 1998. Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function. J. Comput. Chem. 19: 1639-1662.
    • (1998) J. Comput. Chem. , vol.19 , pp. 1639-1662
    • Morris, G.M.1    Goodsell, D.S.2    Halliday, R.S.3    Huey, R.4    Hart, W.E.5    Belew, R.K.6    Olson, A.J.7
  • 39
    • 0034212826 scopus 로고    scopus 로고
    • BiGGER: A new (soft) docking algorithm for predicting protein interactions
    • Palma, P.N., Krippahl, L., Wampler, J.E., and Moura, J.J. 2000. BiGGER: A new (soft) docking algorithm for predicting protein interactions. Proteins 39: 372-384.
    • (2000) Proteins , vol.39 , pp. 372-384
    • Palma, P.N.1    Krippahl, L.2    Wampler, J.E.3    Moura, J.J.4
  • 40
    • 0036606204 scopus 로고    scopus 로고
    • ConsDock: A new program for the consensus analysis of protein-ligand interactions
    • Paul, N. and Rognan, D. 2002. ConsDock: A new program for the consensus analysis of protein-ligand interactions. Proteins 47: 521-533.
    • (2002) Proteins , vol.47 , pp. 521-533
    • Paul, N.1    Rognan, D.2
  • 41
    • 0017876485 scopus 로고
    • Packing of α-helices: Geometrical constraints and contact areas
    • Richmond, T.J. and Richards, P.M. 1978. Packing of α-helices: Geometrical constraints and contact areas. J. Mol. Biol. 119: 537-555.
    • (1978) J. Mol. Biol. , vol.119 , pp. 537-555
    • Richmond, T.J.1    Richards, P.M.2
  • 42
    • 0034193510 scopus 로고    scopus 로고
    • Protein docking using spherical polar Fourier correlations
    • Ritchie, D.W. and Kemp, G.J. 2000. Protein docking using spherical polar Fourier correlations. Proteins 39: 178-194.
    • (2000) Proteins , vol.39 , pp. 178-194
    • Ritchie, D.W.1    Kemp, G.J.2
  • 43
    • 0025317502 scopus 로고
    • Definition of general topological equivalence in protein structures. A procedure involving comparison of properties and relationships through simulated annealing and dynamic programming
    • Sali, A. and Blundell, T.L. 1990. Definition of general topological equivalence in protein structures. A procedure involving comparison of properties and relationships through simulated annealing and dynamic programming. J. Mol. Biol. 212: 403-428.
    • (1990) J. Mol. Biol. , vol.212 , pp. 403-428
    • Sali, A.1    Blundell, T.L.2
  • 44
    • 0030090466 scopus 로고    scopus 로고
    • Predicting the structure of protein complexes: A step in the right direction
    • Shoichet, B.K. and Kuntz, I.D. 1996. Predicting the structure of protein complexes: A step in the right direction. Chem. Biol. 3: 151-156.
    • (1996) Chem. Biol. , vol.3 , pp. 151-156
    • Shoichet, B.K.1    Kuntz, I.D.2
  • 45
    • 0036468385 scopus 로고    scopus 로고
    • Prediction of protein-protein interactions by docking methods
    • Smith, G.R. and Sternberg, M.J. 2002. Prediction of protein-protein interactions by docking methods. Curr. Opin. Struct. Biol. 12: 28-35.
    • (2002) Curr. Opin. Struct. Biol. , vol.12 , pp. 28-35
    • Smith, G.R.1    Sternberg, M.J.2
  • 46
    • 0032054715 scopus 로고    scopus 로고
    • Predictive docking of protein-protein and protein-DNA complexes
    • Sternberg, M.J., Gabb, H.A., and Jackson, R.M. 1998. Predictive docking of protein-protein and protein-DNA complexes. Curr. Opin. Struct. Biol. 8: 250-256.
    • (1998) Curr. Opin. Struct. Biol. , vol.8 , pp. 250-256
    • Sternberg, M.J.1    Gabb, H.A.2    Jackson, R.M.3
  • 47
    • 0034332970 scopus 로고    scopus 로고
    • DARWIN: A program for docking flexible molecules
    • Taylor, J.S. and Burnett, R.M. 2000. DARWIN: A program for docking flexible molecules. Proteins 41: 173-191.
    • (2000) Proteins , vol.41 , pp. 173-191
    • Taylor, J.S.1    Burnett, R.M.2
  • 48
    • 1842405464 scopus 로고    scopus 로고
    • Studies of protein-protein interfaces: A statistical analysis of the hydrophobic effect
    • Tsai, C.J., Lin, S.L., Wolfson, H.J., and Nussinov, R. 1997. Studies of protein-protein interfaces: A statistical analysis of the hydrophobic effect. Protein Sci. 6: 53-64.
    • (1997) Protein Sci. , vol.6 , pp. 53-64
    • Tsai, C.J.1    Lin, S.L.2    Wolfson, H.J.3    Nussinov, R.4
  • 49
    • 0035178383 scopus 로고    scopus 로고
    • Protein-protein interfaces: Analysis of amino acid conservation in homodimers
    • Valdar, W.S. and Thornton, J.M. 2001. Protein-protein interfaces: Analysis of amino acid conservation in homodimers. Proteins 42: 108-124.
    • (2001) Proteins , vol.42 , pp. 108-124
    • Valdar, W.S.1    Thornton, J.M.2
  • 50
    • 0029077858 scopus 로고
    • A new computational model for protein-folding based on atomic solvation
    • Wang, Y.H., Zhang, H., and Scott, R.A. 1995. A new computational model for protein-folding based on atomic solvation. Protein Sci. 4: 1402-1411.
    • (1995) Protein Sci. , vol.4 , pp. 1402-1411
    • Wang, Y.H.1    Zhang, H.2    Scott, R.A.3
  • 51
    • 13244292990 scopus 로고    scopus 로고
    • A two-stage classifier for identification of protein-protein interface residues
    • Yan, C., Dobbs, D., and Honavar, V. 2004. A two-stage classifier for identification of protein-protein interface residues. Bioinformatics 20: i371-i378.
    • (2004) Bioinformatics , vol.20
    • Yan, C.1    Dobbs, D.2    Honavar, V.3
  • 52
    • 1842532062 scopus 로고    scopus 로고
    • GEMDOCK: A generic evolutionary method for molecular docking
    • Yang, J.M. and Chen, C.C. 2004. GEMDOCK: A generic evolutionary method for molecular docking. Proteins 55: 288-304.
    • (2004) Proteins , vol.55 , pp. 288-304
    • Yang, J.M.1    Chen, C.C.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.