|
Atilgan, a R. et al. (2001) Anisotropy of fluctuation dynamics of proteins with an elastic network model. Biophys. J., 80, 505–15. Bahar,I. et al. (1998) Correlation between native-state hydrogen exchange and cooperative residue fluctuations from a simple model. Biochemistry, 37, 1067–75. Bahar,I. et al. (1997) Direct evaluation of thermal fluctuations in proteins using a single-parameter harmonic potential. Fold. Des., 2, 173–81. Bahar,I. et al. (2010) Global dynamics of proteins: bridging between structure and function. Annu. Rev. Biophys., 39, 23–42. Bairoch,A. (2000) The ENZYME database in 2000. Nucleic Acids Res., 28, 304–305. Bernstein,F.C. et al. (1977) The Protein Data Bank. A computer-based archival file for macromolecular structures. Eur. J. Biochem., 80, 319–324. Bromberg,S. and Dill,K.A. (1994) Side-chain entropy and packing in proteins. Protein Sci., 3, 997–1009. Chen,Y.C. et al. (2012) DR_bind: a web server for predicting DNA-binding residues from the protein structure based on electrostatics, evolution and geometry. Nucleic Acids Res., 40, W249–56. Chen,Y.C. and Lim,C. (2008) Common physical basis of macromolecule-binding sites in proteins. Nucleic Acids Res., 36, 7078–87. Delarue,M. and Sanejouand,Y.-H. (2002) Simplified Normal Mode Analysis of Conformational Transitions in DNA-dependent Polymerases: the Elastic Network Model. J. Mol. Biol., 320, 1011–1024. Demirel,M.C. et al. (1998) Identification of kinetically hot residues in proteins. 2522–2532. Van Dijk,M. et al. (2006) Information-driven protein-DNA docking using HADDOCK: it is a matter of flexibility. Nucleic Acids Res., 34, 3317–25. Flory (1976) Statistical Thermodynamics of Random Networks. R. Soc. London, 351, 351–380. Haliloglu,T. et al. (1997) Gaussian Dynamics of Folded Proteins. Phys. Rev. Lett., 79, 3090–3093. Haliloglu,T. et al. (2008) Prediction of Binding Sites in Receptor-Ligand Complexes with the Gaussian Network Model. Phys. Rev. Lett., 100, 228102. Haliloglu,T. and Erman,B. (2009) Analysis of Correlations between Energy and Residue Fluctuations in Native Proteins and Determination of Specific Sites for Binding. Phys. Rev. Lett., 102, 088103. Hendlich,M. et al. (1997) LIGSITE: automatic and efficient detection of potential small molecule-binding sites in proteins. J. Mol. Graph. Model., 15, 359–363, 389. Humphrey,W. et al. (1996) VMD: visual molecular dynamics. J. Mol. Graph., 14, 33–38, 27–28. Jayaram,B. et al. (2002) Free-energy component analysis of 40 protein-DNA complexes: a consensus view on the thermodynamics of binding at the molecular level. J. Comput. Chem., 23, 1–14. Krissinel,E. and Henrick,K. (2007) Inference of macromolecular assemblies from crystalline state. J. Mol. Biol., 372, 774–797. Li, H., Sakuraba, S. Chandrasekaran,A. and and Yang,L. (2014) Molecular binding sites having the least angular momentum re-vealed by protein contact topology and intrinsic dynamics. (Submitted. Marcovitz,A. and Levy,Y. (2013) Obstacles may facilitate and direct DNA search by proteins. Biophys. J., 104, 2042–50. McQuarrie,D.A. (2000) Statistical Mechanics University Science Books. Milburn,D. et al. (1998) Sequences annotated by structure: a tool to facilitate the use of structural information in sequence analysis. Protein Eng., 11, 855–859. Minor,D.N.A. et al. (1998) Harmonic Modes as Variables to Approximately Account for Receptor Flexibility in Ligand ᎐ Receptor Docking Simulations : Application to DNA Minor Groove Ligand Complex. J. Comput. Chem., 20, 287–300. Morozov,A. V et al. (2005) Protein-DNA binding specificity predictions with structural models. Nucleic Acids Res., 33, 5781–98. Needleman,S.B. and Wunsch,C.D. (1970) A general method applicable to the search for similarities in the amino acid sequence of two proteins. J. Mol. Biol., 48, 443–453. Ozbek,P. et al. (2010a) DNABINDPROT: fluctuation-based predictor of DNA-binding residues within a network of interacting residues. Nucleic Acids Res., 38, W417–23. Ozbek,P. et al. (2010b) DNABINDPROT: fluctuation-based predictor of DNA-binding residues within a network of interacting residues. Nucleic Acids Res., 38, W417–23. Porter,C.T. et al. (2004) The Catalytic Site Atlas: a resource of catalytic sites and residues identified in enzymes using structural data. Nucleic Acids Res., 32, D129–D133. Privalov,P.L. et al. (2007) What drives proteins into the major or minor grooves of DNA? J. Mol. Biol., 365, 1–9. Schlitter,J. (1993) Estimation of absolute and relative entropies of macromolecules using the covariance matrix. Chem. Phys. Lett., 2, 617–621. Sillitoe,I. et al. (2013) New functional families (FunFams) in CATH to improve the mapping of conserved functional sites to 3D structures. Nucleic Acids Res., 41, D490–8. Tama,F. and Sanejouand,Y.H. (2001) Conformational change of proteins arising from normal mode calculations. Protein Eng., 14, 1–6. Thorpe,M.F. (2007) Comment on elastic network models and proteins. Phys. Biol., 4, 60–3; discussion 64–5. Tirion,M.M. (1996) Large Amplitude Elastic Motions in Proteins from a Single-Parameter, Atomic Analysis. Phys. Rev. Lett., 77, 1905–1908. Vajda,S. et al. (1994) Effect of conformational flexibility and solvation on receptor-ligand binding free energies. Biochemistry, 33, 13977–88. Venkatachalam,C.M. et al. (2003) LigandFit: a novel method for the shape-directed rapid docking of ligands to protein active sites. J. Mol. Graph. Model., 21, 289–307. Wang,L. et al. (2010) BindN+ for accurate prediction of DNA and RNA-binding residues from protein sequence features. BMC Syst. Biol., 4 Suppl 1, S3. Yang,L.-W. (2011) Models with energy penalty on interresidue rotation address insufficiencies of conventional elastic network models. Biophys. J., 100, 1784–93. Yang,L.-W. et al. (2006) oGNM: online computation of structural dynamics using the Gaussian Network Model. Nucleic Acids Res., 34, W24–31. Yang,L.-W. and Bahar,I. (2005) Coupling between catalytic site and collective dynamics: a requirement for mechanochemical activity of enzymes. Structure, 13, 893–904.
|