Some Mathematical and Computational Techniques arising in the Multi-Scale Modelling of DNA mechanics
Talk by Prof. Dr. John H. Maddocks
Speaker invited by: Prof. Dr. Michel Chipot
Date: 03.12.14 Time: 16.15 - 17.15 Room: Y27H25
Abstract: It is now widely accepted that in addition to coding for proteins there is a second, mechanical, code in the sequence of DNA which controls biological function in various ways. Starting from large scale Molecular Dynamics simulation data I will discuss how to construct and parametrize coarse grain models of DNA at various scales. The models capture variations in shape and stiffness as a function of sequence in ways that can be tested against experiment. Mathematical techniques that arise include maximum parameter estimation, and symmetry breaking using Poincare-Melnikov functions in Hamiltonian ODE two-point boundary value problems.