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Mathematical Approaches to Biomolecular Structure and Dynamics
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I. Biomolecular Topology.- Tangle complexity and the topology of the Chinese rings.- Lattice invariants for knots.- Topology and geometry of biopolymers.- Energy functions for knots: beginning to predict physical behavior.- II. Biomolecular Structure and Dynamics: Theory.- The elastic rod provides a model for DNA and its functions.- Hamiltonian formulations and symmetries in rod mechanics.- Statistical mechanics of supercoiled DNA.- Determination of the DNA helical repeat and of the structure of supercoiled DNA by cryo-electron microscopy.- Dynamics of twist and writhe and the modeling of bacterial fibers.- III. Biomolecular Structure and Dynamics: Computation.- Integration methods for molecular dynamics.- On the parallelization of CHARMM on the CM-5/5E.- Computational studies of spatially constrained DNA.- Pursuing Laplace's vision on modern computers.

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