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Volumn 553, Issue , 2015, Pages 261-285

Computational methods for prediction of RNA interactions with metal ions and small organic ligands

Author keywords

Bioinformatics; Molecular modeling; RNA structure; RNA ligand interactions; Statistical potential; Structure prediction

Indexed keywords

LIGAND; METAL ION; RNA; METAL; RIBOSWITCH;

EID: 84923540491     PISSN: 00766879     EISSN: 15577988     Source Type: Book Series    
DOI: 10.1016/bs.mie.2014.10.057     Document Type: Chapter
Times cited : (10)

References (43)
  • 1
    • 78751676012 scopus 로고    scopus 로고
    • Development of CHARMM polarizable force field for nucleic acid bases based on the classical Drude oscillator model
    • C.M. Baker, V.M. Anisimov, and A.D. MacKerell Jr. Development of CHARMM polarizable force field for nucleic acid bases based on the classical Drude oscillator model The Journal of Physical Chemistry B 115 3 2011 580 596 10.1021/jp1092338
    • (2011) The Journal of Physical Chemistry B , vol.115 , Issue.3 , pp. 580-596
    • Baker, C.M.1    Anisimov, V.M.2    Mackerell, Jr.A.D.3
  • 2
    • 84855846639 scopus 로고    scopus 로고
    • Widespread genetic switches and toxicity resistance proteins for fluoride
    • J.L. Baker, N. Sudarsan, Z. Weinberg, A. Roth, R.B. Stockbridge, and R.R. Breaker Widespread genetic switches and toxicity resistance proteins for fluoride Science 335 6065 2012 233 235 10.1126/science.1215063
    • (2012) Science , vol.335 , Issue.6065 , pp. 233-235
    • Baker, J.L.1    Sudarsan, N.2    Weinberg, Z.3    Roth, A.4    Stockbridge, R.B.5    Breaker, R.R.6
  • 3
    • 0043163762 scopus 로고    scopus 로고
    • Microenvironment analysis and identification of magnesium binding sites in RNA
    • D.R. Banatao, R.B. Altman, and T.E. Klein Microenvironment analysis and identification of magnesium binding sites in RNA Nucleic Acids Research 31 15 2003 4450 4460
    • (2003) Nucleic Acids Research , vol.31 , Issue.15 , pp. 4450-4460
    • Banatao, D.R.1    Altman, R.B.2    Klein, T.E.3
  • 6
    • 1242274330 scopus 로고    scopus 로고
    • A guide to ions and RNA structure
    • D.E. Draper A guide to ions and RNA structure RNA 10 3 2004 335 343
    • (2004) RNA , vol.10 , Issue.3 , pp. 335-343
    • Draper, D.E.1
  • 7
    • 58749105663 scopus 로고    scopus 로고
    • RNA folding: Thermodynamic and molecular descriptions of the roles of ions
    • D.E. Draper RNA folding: Thermodynamic and molecular descriptions of the roles of ions Biophysical Journal 95 12 2008 5489 5495
    • (2008) Biophysical Journal , vol.95 , Issue.12 , pp. 5489-5495
    • Draper, D.E.1
  • 8
    • 76649139475 scopus 로고    scopus 로고
    • Molecular recognition of RNA: Challenges for modelling interactions and plasticity
    • S. Fulle, and H. Gohlke Molecular recognition of RNA: Challenges for modelling interactions and plasticity Journal of Molecular Recognition 23 2 2010 220 231 10.1002/jmr.1000
    • (2010) Journal of Molecular Recognition , vol.23 , Issue.2 , pp. 220-231
    • Fulle, S.1    Gohlke, H.2
  • 10
    • 0034645763 scopus 로고    scopus 로고
    • Knowledge-based scoring function to predict protein-ligand interactions
    • H. Gohlke, M. Hendlich, and G. Klebe Knowledge-based scoring function to predict protein-ligand interactions Journal of Molecular Biology 295 2 2000 337 356
    • (2000) Journal of Molecular Biology , vol.295 , Issue.2 , pp. 337-356
    • Gohlke, H.1    Hendlich, M.2    Klebe, G.3
  • 11
    • 47349127321 scopus 로고    scopus 로고
    • Docking to RNA via root-mean-square-deviation-driven energy minimization with flexible ligands and flexible targets
    • C. Guilbert, and T.L. James Docking to RNA via root-mean-square-deviation-driven energy minimization with flexible ligands and flexible targets Journal of Chemical Information and Modeling 48 6 2008 1257 1268 10.1021/ci8000327
    • (2008) Journal of Chemical Information and Modeling , vol.48 , Issue.6 , pp. 1257-1268
    • Guilbert, C.1    James, T.L.2
  • 12
    • 0032532765 scopus 로고    scopus 로고
    • Exploration of metal ion binding sites in RNA folds by Brownian-dynamics simulations
    • T. Hermann, and E. Westhof Exploration of metal ion binding sites in RNA folds by Brownian-dynamics simulations Structure 6 10 1998 1303 1314
    • (1998) Structure , vol.6 , Issue.10 , pp. 1303-1314
    • Hermann, T.1    Westhof, E.2
  • 14
    • 66449110287 scopus 로고    scopus 로고
    • DOCK 6: Combining techniques to model RNA-small molecule complexes
    • P.T. Lang, S.R. Brozell, S. Mukherjee, E.F. Pettersen, E.C. Meng, and V. Thomas DOCK 6: Combining techniques to model RNA-small molecule complexes RNA 15 6 2009 1219 1230 10.1261/rna.1563609
    • (2009) RNA , vol.15 , Issue.6 , pp. 1219-1230
    • Lang, P.T.1    Brozell, S.R.2    Mukherjee, S.3    Pettersen, E.F.4    Meng, E.C.5    Thomas, V.6
  • 15
    • 0042622410 scopus 로고    scopus 로고
    • WebFEATURE: An interactive web tool for identifying and visualizing functional sites on macromolecular structures
    • M.P. Liang, D.R. Banatao, T.E. Klein, D.L. Brutlag, and R.B. Altman WebFEATURE: An interactive web tool for identifying and visualizing functional sites on macromolecular structures Nucleic Acids Research 31 13 2003 3324 3327
    • (2003) Nucleic Acids Research , vol.31 , Issue.13 , pp. 3324-3327
    • Liang, M.P.1    Banatao, D.R.2    Klein, T.E.3    Brutlag, D.L.4    Altman, R.B.5
  • 16
    • 0038210214 scopus 로고    scopus 로고
    • Riboswitches control fundamental biochemical pathways in Bacillus subtilis and other bacteria
    • M. Mandal, B. Boese, J.E. Barrick, W.C. Winkler, and R.R. Breaker Riboswitches control fundamental biochemical pathways in Bacillus subtilis and other bacteria Cell 113 5 2003 577 586
    • (2003) Cell , vol.113 , Issue.5 , pp. 577-586
    • Mandal, M.1    Boese, B.2    Barrick, J.E.3    Winkler, W.C.4    Breaker, R.R.5
  • 17
    • 5044234799 scopus 로고    scopus 로고
    • A glycine-dependent riboswitch that uses cooperative binding to control gene expression
    • M. Mandal, M. Lee, J.E. Barrick, Z. Weinberg, G.M. Emilsson, and W.L. Ruzzo A glycine-dependent riboswitch that uses cooperative binding to control gene expression Science 306 5694 2004 275 279 10.1126/science.1100829
    • (2004) Science , vol.306 , Issue.5694 , pp. 275-279
    • Mandal, M.1    Lee, M.2    Barrick, J.E.3    Weinberg, Z.4    Emilsson, G.M.5    Ruzzo, W.L.6
  • 18
    • 18744396047 scopus 로고    scopus 로고
    • Sensing small molecules by nascent RNA: A mechanism to control transcription in bacteria
    • A.S. Mironov, I. Gusarov, R. Rafikov, L.E. Lopez, K. Shatalin, and R.A. Kreneva Sensing small molecules by nascent RNA: A mechanism to control transcription in bacteria Cell 111 5 2002 747 756
    • (2002) Cell , vol.111 , Issue.5 , pp. 747-756
    • Mironov, A.S.1    Gusarov, I.2    Rafikov, R.3    Lopez, L.E.4    Shatalin, K.5    Kreneva, R.A.6
  • 19
    • 0034625314 scopus 로고    scopus 로고
    • Mg(2 +) binding to tRNA revisited: The nonlinear Poisson-Boltzmann model
    • V.K. Misra, and D.E. Draper Mg(2 +) binding to tRNA revisited: The nonlinear Poisson-Boltzmann model Journal of Molecular Biology 299 3 2000 813 825 10.1006/jmbi.2000.3769
    • (2000) Journal of Molecular Biology , vol.299 , Issue.3 , pp. 813-825
    • Misra, V.K.1    Draper, D.E.2
  • 21
    • 48249104039 scopus 로고    scopus 로고
    • Riboswitches: Emerging themes in RNA structure and function
    • R.K. Montange, and R.T. Batey Riboswitches: Emerging themes in RNA structure and function Annual Review of Biophysics 37 2008 117 133 10.1146/annurev.biophys.37.032807.130000
    • (2008) Annual Review of Biophysics , vol.37 , pp. 117-133
    • Montange, R.K.1    Batey, R.T.2
  • 22
    • 4043058000 scopus 로고    scopus 로고
    • Validation of an empirical RNA-ligand scoring function for fast flexible docking using Ribodock
    • S.D. Morley, and M. Afshar Validation of an empirical RNA-ligand scoring function for fast flexible docking using Ribodock Journal of Computer-Aided Molecular Design 18 3 2004 189 208
    • (2004) Journal of Computer-Aided Molecular Design , vol.18 , Issue.3 , pp. 189-208
    • Morley, S.D.1    Afshar, M.2
  • 24
    • 77954079519 scopus 로고    scopus 로고
    • Novel riboswitch ligand analogs as selective inhibitors of guanine-related metabolic pathways
    • J. Mulhbacher, E. Brouillette, M. Allard, L.C. Fortier, F. Malouin, and D.A. Lafontaine Novel riboswitch ligand analogs as selective inhibitors of guanine-related metabolic pathways PLoS Pathogens 6 4 2010 e1000865 10.1371/journal.ppat.1000865
    • (2010) PLoS Pathogens , vol.6 , Issue.4 , pp. e1000865
    • Mulhbacher, J.1    Brouillette, E.2    Allard, M.3    Fortier, L.C.4    Malouin, F.5    Lafontaine, D.A.6
  • 27
    • 35248883964 scopus 로고    scopus 로고
    • DrugScoreRNA - Knowledge-based scoring function to predict RNA-ligand interactions
    • P. Pfeffer, and H. Gohlke DrugScoreRNA - Knowledge-based scoring function to predict RNA-ligand interactions Journal of Chemical Information and Modeling 47 5 2007 1868 1876 10.1021/ci700134p
    • (2007) Journal of Chemical Information and Modeling , vol.47 , Issue.5 , pp. 1868-1876
    • Pfeffer, P.1    Gohlke, H.2
  • 28
    • 84856103053 scopus 로고    scopus 로고
    • MetalionRNA: Computational predictor of metal-binding sites in RNA structures
    • A. Philips, K. Milanowska, G. Lach, M. Boniecki, K. Rother, and J.M. Bujnicki MetalionRNA: Computational predictor of metal-binding sites in RNA structures Bioinformatics 28 2 2012 198 205 10.1093/bioinformatics/btr636
    • (2012) Bioinformatics , vol.28 , Issue.2 , pp. 198-205
    • Philips, A.1    Milanowska, K.2    Lach, G.3    Boniecki, M.4    Rother, K.5    Bujnicki, J.M.6
  • 29
    • 84888420320 scopus 로고    scopus 로고
    • LigandRNA: Computational predictor of RNA-ligand interactions
    • A. Philips, K. Milanowska, G. Lach, and J.M. Bujnicki LigandRNA: Computational predictor of RNA-ligand interactions RNA 19 12 2013 1605 1616 10.1261/rna.039834.113
    • (2013) RNA , vol.19 , Issue.12 , pp. 1605-1616
    • Philips, A.1    Milanowska, K.2    Lach, G.3    Bujnicki, J.M.4
  • 30
    • 0003157183 scopus 로고    scopus 로고
    • Noncoding RNA gene detection using comparative sequence analysis
    • E. Rivas, and S.R. Eddy Noncoding RNA gene detection using comparative sequence analysis BMC Bioinformatics 2 2001 8
    • (2001) BMC Bioinformatics , vol.2 , pp. 8
    • Rivas, E.1    Eddy, S.R.2
  • 31
    • 0345531094 scopus 로고    scopus 로고
    • Regulation of lysine biosynthesis and transport genes in bacteria: Yet another RNA riboswitch?
    • D.A. Rodionov, A.G. Vitreschak, A.A. Mironov, and M.S. Gelfand Regulation of lysine biosynthesis and transport genes in bacteria: Yet another RNA riboswitch? Nucleic Acids Research 31 23 2003 6748 6757
    • (2003) Nucleic Acids Research , vol.31 , Issue.23 , pp. 6748-6757
    • Rodionov, D.A.1    Vitreschak, A.G.2    Mironov, A.A.3    Gelfand, M.S.4
  • 33
    • 77949905333 scopus 로고    scopus 로고
    • Controlling ribozyme activity by metal ions
    • S1367-5931(09)00195-1 [pii]
    • J. Schnabl, and R.K. Sigel Controlling ribozyme activity by metal ions Current Opinion in Chemical Biology 14 2 2010 269 275 S1367-5931(09)00195-1 [pii]
    • (2010) Current Opinion in Chemical Biology , vol.14 , Issue.2 , pp. 269-275
    • Schnabl, J.1    Sigel, R.K.2
  • 34
    • 0036224052 scopus 로고    scopus 로고
    • Effects of magnesium ions on the stabilization of RNA oligomers of defined structures
    • M.J. Serra, J.D. Baird, T. Dale, B.L. Fey, K. Retatagos, and E. Westhof Effects of magnesium ions on the stabilization of RNA oligomers of defined structures RNA 8 3 2002 307 323
    • (2002) RNA , vol.8 , Issue.3 , pp. 307-323
    • Serra, M.J.1    Baird, J.D.2    Dale, T.3    Fey, B.L.4    Retatagos, K.5    Westhof, E.6
  • 35
    • 0029160633 scopus 로고
    • Structure-function relationships of hammerhead ribozymes: From understanding to applications
    • S0167-7799(00)88966-0 [pii]
    • S.T. Sigurdsson, and F. Eckstein Structure-function relationships of hammerhead ribozymes: From understanding to applications Trends in Biotechnology 13 8 1995 286 289 S0167-7799(00)88966-0 [pii]
    • (1995) Trends in Biotechnology , vol.13 , Issue.8 , pp. 286-289
    • Sigurdsson, S.T.1    Eckstein, F.2
  • 36
    • 0027650879 scopus 로고
    • Boltzmann's principle, knowledge-based mean fields and protein folding. An approach to the computational determination of protein structures
    • M. Sippl Boltzmann's principle, knowledge-based mean fields and protein folding. An approach to the computational determination of protein structures Journal of Computer-Aided Molecular Design 7 1993 473 501
    • (1993) Journal of Computer-Aided Molecular Design , vol.7 , pp. 473-501
    • Sippl, M.1
  • 37
  • 38
    • 16244384381 scopus 로고    scopus 로고
    • Electrostatic correlations and fluctuations for ion binding to a finite length polyelectrolyte
    • Z.J. Tan, and S.J. Chen Electrostatic correlations and fluctuations for ion binding to a finite length polyelectrolyte The Journal of Chemical Physics 122 2005 044903
    • (2005) The Journal of Chemical Physics , vol.122 , pp. 044903
    • Tan, Z.J.1    Chen, S.J.2
  • 39
    • 77956567931 scopus 로고    scopus 로고
    • Predicting ion binding properties for RNA tertiary structures
    • S0006-3495(10)00772-1 [pii]
    • Z.J. Tan, and S.J. Chen Predicting ion binding properties for RNA tertiary structures Biophysical Journal 99 5 2010 1565 1576 S0006-3495(10)00772-1 [pii]
    • (2010) Biophysical Journal , vol.99 , Issue.5 , pp. 1565-1576
    • Tan, Z.J.1    Chen, S.J.2
  • 40
    • 43149103943 scopus 로고    scopus 로고
    • Targeting RNA with small molecules
    • J.R. Thomas, and P.J. Hergenrother Targeting RNA with small molecules Chemical Reviews 108 4 2008 1171 1224 10.1021/cr0681546
    • (2008) Chemical Reviews , vol.108 , Issue.4 , pp. 1171-1224
    • Thomas, J.R.1    Hergenrother, P.J.2
  • 41
    • 34247642773 scopus 로고    scopus 로고
    • A riboswitch regulates expression of the coenzyme B12-independent methionine synthase in Mycobacterium tuberculosis: Implications for differential methionine synthase function in strains H37Rv and CDC1551
    • D.F. Warner, S. Savvi, V. Mizrahi, and S.S. Dawes A riboswitch regulates expression of the coenzyme B12-independent methionine synthase in Mycobacterium tuberculosis: Implications for differential methionine synthase function in strains H37Rv and CDC1551 Journal of Bacteriology 189 9 2007 3655 3659
    • (2007) Journal of Bacteriology , vol.189 , Issue.9 , pp. 3655-3659
    • Warner, D.F.1    Savvi, S.2    Mizrahi, V.3    Dawes, S.S.4
  • 43
    • 48849104435 scopus 로고    scopus 로고
    • Data mining of metal ion environments present in protein structures
    • H. Zheng, M. Chruszcz, P. Lasota, L. Lebioda, and W. Minor Data mining of metal ion environments present in protein structures Journal of Inorganic Biochemistry 102 9 2008 1765 1776 10.1016/j.jinorgbio.2008.05.006
    • (2008) Journal of Inorganic Biochemistry , vol.102 , Issue.9 , pp. 1765-1776
    • Zheng, H.1    Chruszcz, M.2    Lasota, P.3    Lebioda, L.4    Minor, W.5


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