메뉴 건너뛰기




Volumn 553, Issue , 2015, Pages 65-89

Computational methods toward accurate RNA structure prediction using coarse-grained and all-atom models

Author keywords

All atom model; Coarse grained model; DMD; Prediction; RNA; Structure

Indexed keywords

HYDROXYL RADICAL; PHOSPHATE; RNA;

EID: 84923586605     PISSN: 00766879     EISSN: 15577988     Source Type: Book Series    
DOI: 10.1016/bs.mie.2014.10.052     Document Type: Chapter
Times cited : (14)

References (38)
  • 1
    • 84923548340 scopus 로고    scopus 로고
    • Introduction to 1H NMR spectroscopy of DNA
    • S.M. Hecht, Oxford University Press New York
    • K.J. Addess, and J. Feigon Introduction to 1H NMR spectroscopy of DNA S.M. Hecht, Bioorganic chemistry: Nucleic acids 1996 Oxford University Press New York 163 185
    • (1996) Bioorganic Chemistry: Nucleic Acids , pp. 163-185
    • Addess, K.J.1    Feigon, J.2
  • 2
    • 36749107785 scopus 로고
    • Molecular dynamics simulations at constant pressure and/or temperature
    • H.C. Andersen Molecular dynamics simulations at constant pressure and/or temperature The Journal of Chemical Physics 72 4 1980 2384 2393
    • (1980) The Journal of Chemical Physics , vol.72 , Issue.4 , pp. 2384-2393
    • Andersen, H.C.1
  • 3
    • 79958069365 scopus 로고    scopus 로고
    • Topological constraints: Using RNA secondary structure to model 3D conformation, folding pathways, and dynamic adaptation
    • M.H. Bailor, A.M. Mustoe, C.L. Brooks III, and H.M. Al-Hashimi Topological constraints: Using RNA secondary structure to model 3D conformation, folding pathways, and dynamic adaptation Current Opinion in Structural Biology 21 3 2011 296 305
    • (2011) Current Opinion in Structural Biology , vol.21 , Issue.3 , pp. 296-305
    • Bailor, M.H.1    Mustoe, A.M.2    Brooks, C.L.3    Al-Hashimi, H.M.4
  • 5
    • 2942571539 scopus 로고    scopus 로고
    • The comparative RNA web (CRW) site: An online database of comparative sequence and structure information for ribosomal, intron, and other RNAs
    • J.J. Cannone, S. Subramanian, M.N. Schnare, J.R. Collett, L.M. D'Souza, and Y. Du The comparative RNA web (CRW) site: An online database of comparative sequence and structure information for ribosomal, intron, and other RNAs BMC Bioinformatics 3 1 2002 2
    • (2002) BMC Bioinformatics , vol.3 , Issue.1 , pp. 2
    • Cannone, J.J.1    Subramanian, S.2    Schnare, M.N.3    Collett, J.R.4    D'Souza, L.M.5    Du, Y.6
  • 7
    • 84863338065 scopus 로고    scopus 로고
    • RNA-Puzzles: A CASP-like evaluation of RNA three-dimensional structure prediction
    • J.A. Cruz, M.F. Blanchet, M. Boniecki, J.M. Bujnicki, S.J. Chen, and S. Cao RNA-Puzzles: A CASP-like evaluation of RNA three-dimensional structure prediction RNA 18 4 2012 610 625
    • (2012) RNA , vol.18 , Issue.4 , pp. 610-625
    • Cruz, J.A.1    Blanchet, M.F.2    Boniecki, M.3    Bujnicki, J.M.4    Chen, S.J.5    Cao, S.6
  • 10
    • 84861978778 scopus 로고    scopus 로고
    • Three-dimensional RNA structure refinement by hydroxyl radical probing
    • F. Ding, C.A. Lavender, K.M. Weeks, and N.V. Dokholyan Three-dimensional RNA structure refinement by hydroxyl radical probing Nature Methods 9 6 2012 603 608
    • (2012) Nature Methods , vol.9 , Issue.6 , pp. 603-608
    • Ding, F.1    Lavender, C.A.2    Weeks, K.M.3    Dokholyan, N.V.4
  • 11
    • 44149101971 scopus 로고    scopus 로고
    • Ab initio RNA folding by discrete molecular dynamics: From structure prediction to folding mechanisms
    • F. Ding, S. Sharma, P. Chalasani, V.V. Demidov, N.E. Broude, and N.V. Dokholyan Ab initio RNA folding by discrete molecular dynamics: From structure prediction to folding mechanisms RNA 14 6 2008 1164 1173
    • (2008) RNA , vol.14 , Issue.6 , pp. 1164-1173
    • Ding, F.1    Sharma, S.2    Chalasani, P.3    Demidov, V.V.4    Broude, N.E.5    Dokholyan, N.V.6
  • 13
    • 1942423619 scopus 로고    scopus 로고
    • MMTSB Tool Set: Enhanced sampling and multiscale modeling methods for applications in structural biology
    • M. Feig, J. Karanicolas, and C.L. Brooks III. MMTSB Tool Set: Enhanced sampling and multiscale modeling methods for applications in structural biology Journal of Molecular Graphics and Modelling 22 5 2004 377 395
    • (2004) Journal of Molecular Graphics and Modelling , vol.22 , Issue.5 , pp. 377-395
    • Feig, M.1    Karanicolas, J.2    Brooks, C.L.3
  • 15
    • 67849127180 scopus 로고    scopus 로고
    • Native-like RNA tertiary structures using a sequence-encoded cleavage agent and refinement by discrete molecular dynamics
    • C.M. Gherghe, C.W. Leonard, F. Ding, N.V. Dokholyan, and K.M. Weeks Native-like RNA tertiary structures using a sequence-encoded cleavage agent and refinement by discrete molecular dynamics Journal of the American Chemical Society 131 7 2009 2541 2546
    • (2009) Journal of the American Chemical Society , vol.131 , Issue.7 , pp. 2541-2546
    • Gherghe, C.M.1    Leonard, C.W.2    Ding, F.3    Dokholyan, N.V.4    Weeks, K.M.5
  • 16
    • 0026466830 scopus 로고
    • Identifying constraints on the higher-order structure of RNA: Continued development and application of comparative sequence analysis methods
    • R.R. Gutell, A. Power, G.Z. Hertz, E.J. Putz, and G.D. Stormo Identifying constraints on the higher-order structure of RNA: Continued development and application of comparative sequence analysis methods Nucleic Acids Research 20 21 1992 5785 5795
    • (1992) Nucleic Acids Research , vol.20 , Issue.21 , pp. 5785-5795
    • Gutell, R.R.1    Power, A.2    Hertz, G.Z.3    Putz, E.J.4    Stormo, G.D.5
  • 17
    • 77953648210 scopus 로고    scopus 로고
    • On the significance of an RNA tertiary structure prediction
    • C.E. Hajdin, F. Ding, N.V. Dokholyan, and K.M. Weeks On the significance of an RNA tertiary structure prediction RNA 16 7 2010 1340 1349
    • (2010) RNA , vol.16 , Issue.7 , pp. 1340-1349
    • Hajdin, C.E.1    Ding, F.2    Dokholyan, N.V.3    Weeks, K.M.4
  • 18
    • 0032540504 scopus 로고    scopus 로고
    • NMR structure of a classical pseudoknot: Interplay of single-and double-stranded RNA
    • M.H. Kolk, M. van der Graaf, S.S. Wijmenga, C.W. Pleij, H.A. Heus, and C.W. Hilbers NMR structure of a classical pseudoknot: Interplay of single-and double-stranded RNA Science 280 5362 1998 434 438
    • (1998) Science , vol.280 , Issue.5362 , pp. 434-438
    • Kolk, M.H.1    Van Der Graaf, M.2    Wijmenga, S.S.3    Pleij, C.W.4    Heus, H.A.5    Hilbers, C.W.6
  • 20
    • 77953669481 scopus 로고    scopus 로고
    • Robust and generic RNA modeling using inferred constraints: A structure for the hepatitis C virus IRES pseudoknot domain
    • C.A. Lavender, F. Ding, N.V. Dokholyan, and K.M. Weeks Robust and generic RNA modeling using inferred constraints: A structure for the hepatitis C virus IRES pseudoknot domain Biochemistry 49 24 2010 4931 4933
    • (2010) Biochemistry , vol.49 , Issue.24 , pp. 4931-4933
    • Lavender, C.A.1    Ding, F.2    Dokholyan, N.V.3    Weeks, K.M.4
  • 21
    • 0033591465 scopus 로고    scopus 로고
    • Expanded sequence dependence of thermodynamic parameters improves prediction of RNA secondary structure
    • D.H. Mathews, J. Sabina, M. Zuker, and D.H. Turner Expanded sequence dependence of thermodynamic parameters improves prediction of RNA secondary structure Journal of Molecular Biology 288 5 1999 911 940
    • (1999) Journal of Molecular Biology , vol.288 , Issue.5 , pp. 911-940
    • Mathews, D.H.1    Sabina, J.2    Zuker, M.3    Turner, D.H.4
  • 22
    • 33847318371 scopus 로고    scopus 로고
    • Molecular dynamics simulations of RNA: An in silico single molecule approach
    • S.E. McDowell, N. Špačková, J. Šponer, and N.G. Walter Molecular dynamics simulations of RNA: An in silico single molecule approach Biopolymers 85 2 2007 169 184
    • (2007) Biopolymers , vol.85 , Issue.2 , pp. 169-184
    • McDowell, S.E.1    Špačková, N.2    Šponer, J.3    Walter, N.G.4
  • 23
    • 0025678737 scopus 로고
    • Modelling of the three-dimensional architecture of group i catalytic introns based on comparative sequence analysis
    • F. Michel, and E. Westhof Modelling of the three-dimensional architecture of group I catalytic introns based on comparative sequence analysis Journal of Molecular Biology 216 3 1990 585 610
    • (1990) Journal of Molecular Biology , vol.216 , Issue.3 , pp. 585-610
    • Michel, F.1    Westhof, E.2
  • 24
    • 34250318638 scopus 로고    scopus 로고
    • Refinement of the AMBER force field for nucleic acids: Improving the description of α/γ conformers
    • A. Pérez, I. Marchán, D. Svozil, J. Sponer, T.E. Cheatham III, and C.A. Laughton Refinement of the AMBER force field for nucleic acids: Improving the description of α/γ conformers Biophysical Journal 92 11 2007 3817 3829
    • (2007) Biophysical Journal , vol.92 , Issue.11 , pp. 3817-3829
    • Pérez, A.1    Marchán, I.2    Svozil, D.3    Sponer, J.4    Cheatham, T.E.5    Laughton, C.A.6
  • 28
    • 84872543206 scopus 로고    scopus 로고
    • A decade of riboswitches
    • A. Serganov, and E. Nudler A decade of riboswitches Cell 152 1 2013 17 24
    • (2013) Cell , vol.152 , Issue.1 , pp. 17-24
    • Serganov, A.1    Nudler, E.2
  • 29
    • 34548778155 scopus 로고    scopus 로고
    • Ribozymes, riboswitches and beyond: Regulation of gene expression without proteins
    • A. Serganov, and D.J. Patel Ribozymes, riboswitches and beyond: Regulation of gene expression without proteins Nature Reviews Genetics 8 10 2007 776 790
    • (2007) Nature Reviews Genetics , vol.8 , Issue.10 , pp. 776-790
    • Serganov, A.1    Patel, D.J.2
  • 30
    • 50549096615 scopus 로고    scopus 로고
    • IFoldRNA: Three-dimensional RNA structure prediction and folding
    • S. Sharma, F. Ding, and N.V. Dokholyan iFoldRNA: Three-dimensional RNA structure prediction and folding Bioinformatics 24 17 2008 1951 1952 http://troll.med.unc.edu/ifoldrna.v2/index.php
    • (2008) Bioinformatics , vol.24 , Issue.17 , pp. 1951-1952
    • Sharma, S.1    Ding, F.2    Dokholyan, N.V.3
  • 31
    • 84864247114 scopus 로고    scopus 로고
    • Discrete molecular dynamics: An efficient and versatile simulation method for fine protein characterization
    • D. Shirvanyants, F. Ding, D. Tsao, S. Ramachandran, and N.V. Dokholyan Discrete molecular dynamics: An efficient and versatile simulation method for fine protein characterization The Journal of Physical Chemistry B 116 29 2012 8375 8382
    • (2012) The Journal of Physical Chemistry B , vol.116 , Issue.29 , pp. 8375-8382
    • Shirvanyants, D.1    Ding, F.2    Tsao, D.3    Ramachandran, S.4    Dokholyan, N.V.5
  • 33
    • 0001616080 scopus 로고    scopus 로고
    • Replica-exchange molecular dynamics method for protein folding
    • Y. Sugita, and Y. Okamoto Replica-exchange molecular dynamics method for protein folding Chemical Physics Letters 314 1 1999 141 151
    • (1999) Chemical Physics Letters , vol.314 , Issue.1 , pp. 141-151
    • Sugita, Y.1    Okamoto, Y.2
  • 35
    • 77955787630 scopus 로고    scopus 로고
    • Advances in RNA structure analysis by chemical probing
    • K.M. Weeks Advances in RNA structure analysis by chemical probing Current Opinion in Structural Biology 20 3 2010 295 304
    • (2010) Current Opinion in Structural Biology , vol.20 , Issue.3 , pp. 295-304
    • Weeks, K.M.1
  • 37
    • 0001015060 scopus 로고    scopus 로고
    • Equilibrium thermodynamics of homopolymers and clusters: Molecular dynamics and Monte Carlo simulations of systems with square-well interactions
    • Y. Zhou, M. Karplus, J.M. Wichert, and C.K. Hall Equilibrium thermodynamics of homopolymers and clusters: Molecular dynamics and Monte Carlo simulations of systems with square-well interactions The Journal of Chemical Physics 107 24 1997 10691 10708
    • (1997) The Journal of Chemical Physics , vol.107 , Issue.24 , pp. 10691-10708
    • Zhou, Y.1    Karplus, M.2    Wichert, J.M.3    Hall, C.K.4
  • 38
    • 0042121256 scopus 로고    scopus 로고
    • Mfold web server for nucleic acid folding and hybridization prediction
    • M. Zuker Mfold web server for nucleic acid folding and hybridization prediction Nucleic Acids Research 31 13 2003 3406 3415
    • (2003) Nucleic Acids Research , vol.31 , Issue.13 , pp. 3406-3415
    • Zuker, M.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.