Conformational statistics of bent semiflexible polymers

This paper extends previous methods for obtaining the probability distribution function of end-to-end distance for semiflexible polymers, and presents a general formalism that can generate conformational statistics of any continuum filament model of semiflexible chains with internal bends and twists. In particular, our focus is distribution functions for chains composed of straight or helical segments connected with discrete bends or twists. Prior polymer theories are not able to fully account for the effects of these internal shape discontinuities. We use the operational properties of the noncommutative Fourier transform for the group of rigid-body motions in three-dimensional space. This general method applies to various stiffness models of semiflexible chainlike macromolecules. Examples are given which apply the stiffness parameters defined in the Kratky– Porod model, Yamakawa helical wormlike chain model, and revised Marko–Siggia double-helix model to chains with intrinsic bends or twists in their undeformed ~minimal energy! state. We demonstrate how the location and magnitude of internal bends in the chain affect the distribution of end-to-end distances for each of these models. This capability allows one to study the entropic effects of intrinsic shape changes ~e.g., bend angle! in various models, and may lead to coarse-grained continuum mechanical models of processes that occur during transcription regulation. © 2003 American Institute of Physics. @DOI: 10.1063/1.1596911#