Abstract
Semi-flexible (or wormlike) polymer chains such as DNA possess bending and torsional stiffness. Given a semi-flexible polymer structure that is subjected to Brownian motion forcing, the distribution of relative positions and orientations visited by the distal end of the chain relative to its proximal end provides important information about the molecule that can be linked to experimental observations. This probability density of end-to-end position and orientation can be obtained by solving a Fokker-Planck equation that describes a diffusion process on the Euclidean motion group. In this paper, methods for solving this diffusion equation are reviewed. The techniques presented are valid for chains of up to several persistence lengths in open environments, where the effects of excluded volume can be neglected.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
Antman S.S., Nonlinear Problems of Elasticity, Springer-Verlag, New York, 1995.
Balaeff A., Mahadevan L., and Schulten K., “Modeling DNA loops using the theory of elasticity,” E-print archive arXiv.org (http://arxiv.org/abs/physics/0301006, 2003).
Balaeff A., Mahadevan L., and Schulten K., “Structural basis for cooperative DNA binding by CAP and Lac Repressor,” Structure, 12: 123–132, 2004.
Baumann C.G., Smith S.B., Bloomfield V.A., and Bustamante C. “Ionic Effects on the Elasticity of Single DNA Molecules,” Proceedings of the National Academy of Sciences of the USA, 94(12): 6185–6190, 1997.
Bawendi M.G. and Karl F.F., “A Wiener Integral Model for Stiff Polymer Chains,” Journal of Chemical Physics 83(5): 2491–2496, Sep. 1, 1985.
Benham C.J., “Elastic Model of the Large-Scale Structure of Duplex DNA,” Biopolymers, 18(3): 609–23, 1979.
Benham C.J. and Mielke S.P., “DNA mechanics,” Annual Review of Biomedical Engineering, 7: 21–53, 2005
Bhattacharjee S.M. and Muthukumar M., “Statistical Mechanics of Solutions of Semiflexible Chains: A Pathe Integral Formulation,” Journal of Chemical Physics, 86(1): 411–418, Jan. 1, 1987.
Buchiat C., Wang M.D., Allemand J.F., Strick T., Block S.M., and Croquette V., “Estimating the Persistence Length of a Worm-like ChainMolecule from Force-Extension Measurements,” Biophysical Journal, 76: 409–413, Jan. 1999.
Chirikjian G.S. and Wang Y.F., “Conformational Statistics of Stiff Macromolecules as Solutions to PDEs on the Rotation and Motion Groups,” Physical Review E, 62(1): 880–892, July 2000.
Chirikjian G.S. and Kyatkin A.B., “An Operational Calculus for the Euclidean Motion Group with Applications in Robotics and Polymer Science,” J. Fourier Analysis and Applications, 6(6): 583–606, December 2000.
Chirikjian G.S. and Kyatkin A.B., Engineering Applications of Noncommutative Harmonic Analysis, CRC Press, Boca Raton, FL 2001.
Chirikjian G.S., Stochastic Models, Information Theory, and Lie Groups, Birkhäuser, 2009.
Chirikjian G.S., “The Stochastic Elastica and Excluded-Volume Perturbations of DNA Conformational Ensembles,” unpublished manuscript, 2008.
Chirikjian G.S., “Conformational Statistics of Macromolecules Using Generalized Convolution,” Computational and Theoretical Polymer Science, 11: 143–153, February 2001.
Cluzel P., Lebrun A., Christoph H., Lavery R., Viovy J.L., Chatenay D., and Caron F., “DNA: An Extensible Molecule,” Science, 271: 792, Feb 9, 1996.
Coleman B.D., Dill E.H., Lembo M., Lu Z., and Tobias I., “On the dynamics of rods in the theory of Kirchhoff and Clebsch,” Arch. Rational Mech. Anal., 121: 339–359, 1993.
Coleman B.D., Tobias I., and Swigon D., “Theory of the influence of end conditions on self-contact in DNA loops,” J. Chem. Phys., 103: 9101–9109, 1995.
Coleman B.D., Swigon D., and Tobias I., “Elastic stability of DNA configurations. II: Supercoiled plasmides with self-contact,” Phys. Rev. E, 61: 759–770, 2000.
Coleman B.D., Olson W.K., and Swigon D., “Theory of sequence-dependent DNA elasticity,” J. Chem. Phys., 118: 7127–7140, 2003.
Daniels H.E., ‘The Statistical Theory of Stiff Chains,” Proc. Roy. Soc. (Edinburgh), A63: 290–311, 1952.
des Cloizeaux J. and Jannink G., Polymers in Solution: Their Modelling and Structure, Clarendon Press, Oxford, 1990.
de Gennes P.G., Scaling Concepts in Polymer Physics, Cornell University Press, 1979.
Dichmann D.J., Li Y., and Maddocks J.H., “Hamiltonian Formulations and Symmetries in Rod Mechanics,” in Mathematical Approaches to Biomolecular Structure and Dynamics, Mesirov J.P., Schulten K., and Summers D., eds., pp. 71–113, Springer-Verlag, New York, 1995.
Doi M. and Edwards S.F., The Theory of Polymer Dynamics, Clarendon Press, Oxford, 1986.
Fain B. and Rudnick J., “Conformations of closed DNA,” Phys. Rev. E, 60: 7239–7252, 1999.
Fain B. and Rudnick J., Östlund, S., “Conformations of linear DNA,” Phys. Rev. E, 55: 7364–7368, 1997.
Flory P.J., Statistical Mechanics of Chain Molecules, Wiley-Interscience, New York, 1969.
Gobush W., Yamakawa H., Stockmayer W.H., and Magee W.S., ”Statistical Mechanics of Wormlike Chains. I. Asymptotic Behavior,” The Journal of Chemical Physics, 57(7): 2839–2843, Oct. 1972.
Gonzalez O. and Maddocks J.H., “Extracting parameters for base-pair level models of DNA from molecular dynamics simulations,” Theor. Chem. Acc., 106: 76–82, 2001.
Goyal S., Perkins N.C., and Lee C.L., “Nonlinear dynamics and loop formation in Kirchhoff rods with implications to the mechanics of DNA and cables,” J. Comp. Phys., 209: 371–389, 2005.
Grosberg A.Yu. and Khokhlov A.R., Statistical Physics of Macromolecules, American Institute of Physics, New York, 1994.
Ha B.Y. and Thirumalai D., “Semiflexible Chains under Tension,” Journal of Chemical Physics, 106(8): 4243–4247, 1997.
Hagerman P.J., ”Analysis of the Ring-Closure Probabilities of Isotropic Wormlike Chains: Application to Duplex DNA,” Biopolymers, 24: 1881–1897, 1985.
Hermans J.J. and Ullman R., “The Statistics of Stiff Chains, with Applications to Light Scattering,” Physica, 18(11): 951–971, 1952.
Horowitz D.S. and Wang J.C., ”Torsional Rigidity of DNA and Length Dependence of the Free Energy of DNA Supercoiling,” Journal of Molecular Biology, 173: 75–91, 1984.
Kamein R.D., Lubensky T.C., Nelson P., and O’Hern C.S., “Direct Determination of DNA Twist-Stretch Coupling,” Europhysics Letters, 28(3): 237–242, Apr. 20, 1997.
Kholodenko A.L., “Statistical Mechanics of Semiflexible Polymers: Yesterday, Today and Tomorrow,” J. Chem. Soc. Farady Trans., 91(16): 2473–2482, 1995.
Kleinert H., Path Integrals in Quantum Mechanics, Statistics and Polymer Physics, 2nd ed., World Scientific, Singapore, 1995.
Klenin K., Merlitz H., and Langowski J., ”A Brownian Dynamics Program for the Simulation of Linear and Circular DNA and Other Wormlike Chain Polyelectrolytes,” Biophysical Journal, 74: 780–788, Feb. 1998.
Kratky O. and Porod G., “Röntgenuntersuchung Gelöster Fadenmoleküle,” Recueil des Travaux Chimiques des Pays-Bas, 68(12): 1106–1122, 1949.
Kroy K. and Frey E., “Force-Extension Relation and Plateau Modulus forWormlike Chains,” Physical Review Letters, 77(2): 306–309, 1996.
Lagowski J.B., Noolandi J., and Nickel B., “Stiff Chain Model – functional Integral Approach,” Journal of Chemical Physics, 95(2): 1266–1269, 1991.
Levene S.D. and Crothers D.M., “Ring Closure Probabilities for DNA Fragments by Monte Carlo Simulation,” J. Mol. Biol., 189: 61–72, 1986.
Liverpool T.B. and Edwards S.F., “Probability Distribution of Wormlike Polymer Loops,” Journal of Chemical Physics, 103(15): 6716–6719, Oct. 15, 1995.
Liverpool T.B., Golestanian R., and Kremer K., “Statistical Mechanics of Double-Stranded Semiflexible Polymers,” Physical Review Letters, 80(2): 405–408, 1998.
Love A.E.H., A Treatise on the Mathematical Theory of Elasticity, Dover, New York, 1944.
Marko J.F. and Siggia E.D., “Bending and Twisting Elasticity of DNA,” Macromolecules, 1994, 27: 981–988.
Marko J.F., “DNA Under High Tension: Overstretching, Undertwisting, and Relaxation Dynamics,” Physical Review E, 57(2): 2134–2149, Feb. 1998.
Maroun R.C. and Olson W.K., “Base sequence effects in double-helical DNA. 2. Configurational statistics of rodlike chains,” Biopolymers, 27: 561–584, 1988.
Matsutani S., “Statistical Mechanics of no-stretching elastica in three-dimensional space,” J. Geometry and Physics, 29: 243–259, 1999.
Miller W., “Some Applications of the Representation Theory of the Euclidean Group in Three-Space,” Commun. Pure App. Math., 17: 527–540, 1964.
Miyake A., “Stiff-Chain Statistics in Relation to the Brownian Process,” Journal of the Physical Society of Japan, 50(5): 1676–1682, May 1981.
Moroz J.D. and Nelson P., “Torsional directed walks, entropic elasticity, and DNA twist stiffness,” Proceedings of the National Academy of Sciences of the USA, 94(26): 14418–14422, 1997.
Moroz J.D. and Nelson P., “Entropic elasticity of twist-storing polymers,” Macromolecules, 31(18): 6333–6347, 1998.
Norisuye T., Tsuboi A., and Teramoto A., “Remarks on Excluded-Volume Effects in Semiflexible Polymer Solutions,” Polymer Journal, 28(4): 357–361, 1996.
Odijk T., “Stiff Chains and Filaments under Tension,” Macromolecules, 28(20): 7016–7018, 1995.
Park W., Liu Y., Zhou Y., Moses M., and Chirikjian G.S., “Kinematic State Estimation and Motion Planning for Stochastic Nonholonomic Systems Using the Exponential Map,” Robotica, 26(4): 419–434. 2008.
Schiessel H., Rudnick J., Bruinsma R., and Gelbart W.M., “Organized condensation of worm-like chains,” Europhys. Lett., 51: 237–243, 2000.
Schmidt M. and Stockmayer W.H., “Quasi-Elastic Light Scattering by Semiflexible Chains,” Macromolecules, 17(4): 509–514, 1984.
Shäfer L., Excluded volume effects in polymer solutions, as explained by the renormalization group, Springer, New York : 1999.
Shi Y., He S., and Hearst J. E., ”Statistical mechanics of the extensible and shearable elastic rod and of DNA,” Journal of Chemical Physics, 105(2): 714–731, July 1996.
Shimada J. and Yamakawa H., ”Statistical Mechanics of DNA Topoisomers,” Journal of Molecular Biology, 184: 319–329, 1985.
Shore D. and Baldwin R. L., ”Energetics of DNA Twisting,” Journal of Molecular Biology, 170: 957–981, 1983.
Simo J.C. and Vu-Quoc L., “A three dimensional finite-strain rod model. Part II: Computational aspects,” Comput. Meth. Appl. Mech. Engr., 58: 79–116, 1986.
Smith S.B., Finzi L., and Bustamante C., “Direct Mechanical Measurements of the Elasticity of Single DNA-Molecules by Using Magnetic Beads,” Science, 258: 1122–1126, Nov. 13, 1992.
Steigmann D.J. and Faulkner M.G., “variational theory for spatial rods,” Arch. Rational Mech. Anal., 133: 1–26, 1993.
Stepanow S., “Kramer Equation as a Model for Semiflexible Polymers,” Physical Review E, 54(3): R2209–R2211, 1996.
Strick T.R., Allemand J.F., Bensimon D., Bensimon A., and Croquette V., “The Elasticity of a Single Supercoiled DNA Molecule,” Science, 271: 1835– 1837, Mar. 29, 1996.
Swigon D., Coleman B.D., and Tobias I., “The elastic rod model for DNA and its application to the tertiary structure of DNA minicircles in Mononucleosomes,” Biophys. J., 74: 2515–2530, 1998.
Thirumalai D. and Ha B.-Y., “Statistical Mechanics of Semiflexible Chains: A Mean Field Variational Approach,” pp. 1–35 in Theoretical and Mathematical Models in Polymer Research, A. Grosberg, ed., Academic Press, 1998.
Tobias I., Swigon D., and Coleman B.D., “Elastic stability of DNA configurations. I: General theory,” Phys. Rev. E, 61: 747–758, 2000.
Vilenkin N.J., Akim E.L., and Levin A.A., The Matrix Elements of Irreducible Unitary Representations of the Group of Euclidean Three-Dimensional Space Motions and Their Properties, Dokl. Akad. Nauk SSSR 112: 987–989, 1957 (in Russian); also Vilenkin N.J and Klimyk A.U., Representation of Lie Groups and Special Functions, Vols. 1–3, Kluwer Academic Publ., Dordrecht, Holland 1991.
Vologodskii A.V., Anshelevich V.V., Lukashin A.V., and Frank-Kamenetskii M.D., ”Statistical mechanics of supercoils and the torsional stiffness of the DNA double helix,” Nature, 280: 294–298, July 1979.
Wang M.D., Yin H., Landick R., Gelles J., and Block. S.M., “Stretching DNA with Optical Tweezers,” Biophysical Journal, 72: 1335–1346, Mar. 1997.
Wiggins P.A., Phillips R., and Nelson P.C., “Exact theory of kinkable elastic polymers,” E-print archive arXiv.org (arXiv:cond-mat/0409003 v1, Aug. 31, 2004).
Wilhelm J. and Frey E., “Radial Distribution Function of Semiflexible Polymers,” Physical Review Letters, 77(12): 2581–2584, Sept. 16, 1996.
Winkler R.G., Harnau L., and Reineker P., “Distribution functions and dynamical properties of stiff macromolecules,” Macromolecular Theory and Simulation, 6: 1007–1035, 1997.
Winkler R.G., “Analytical Calculation of the Relaxation Dynamics of Partially Stretched Flexible Chain Molecules: Necessity of a Wormlike Chain Descrption,” Physical Review Letters, 82(9): 1843–1846, 1999.
Yamakawa H. and Stockmayer W.H., ”Statistical Mechanics of Wormlike Chains. II. Excluded Volume Effects”, Journal of Chemical Physics, 57(7): 2843–2854, October 1, 1972.
Yamakawa H., Helical Wormlike Chains in Polymer Solutions, Springer, 1997.
Zandi R. and Rudnick J., “Constrainst, histones, and 30-nm spiral,” Phys. Rev. E, 64, Art. No. 051918, 2001.
Zhao S.R., Sun C.P., and Zhang W.X., ”Statistics of wormlike chains. I. Properties of a Single Chain”, Journal of Chemical Physics, 106(6): 2520–2529, February 8, 1997.
Zhou Y. and Chirikjian G.S., “Conformational statistics of bent semiflexible polymers,” Journal of Chemical Physics, 119(9): 4962–4970, Sept. 1, 2003.
Zhou Y. and Chirikjian G.S., “Conformational Statistics of Semi-Flexible Macromolecular Chains with Internal Joints,” Macromolecules, 39(5): 1950–1960, 2006.
Author information
Authors and Affiliations
Corresponding author
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2009 Springer Science+Business Media, LLC
About this paper
Cite this paper
Chirikjian, G.S. (2009). Conformational Statistics of Dna and Diffusion Equations on The Euclidean Group. In: Benham, C., Harvey, S., Olson, W., Sumners, D., Swigon, D. (eds) Mathematics of DNA Structure, Function and Interactions. The IMA Volumes in Mathematics and its Applications, vol 150. Springer, New York, NY. https://doi.org/10.1007/978-1-4419-0670-0_3
Download citation
DOI: https://doi.org/10.1007/978-1-4419-0670-0_3
Published:
Publisher Name: Springer, New York, NY
Print ISBN: 978-1-4419-0669-4
Online ISBN: 978-1-4419-0670-0
eBook Packages: Mathematics and StatisticsMathematics and Statistics (R0)