Assuming that the dynamics of peptides and proteins can be described by Markov transitions between different configurational states, we present a method which can calculate the mean first passage time (MFPT) between sets of initial and final states. The method is described in detail and differences between this and a method commonly employed  are explained. It is shown that the proposed method is (i) more general in allowing sets of final states, (ii) significantly faster, (iii) more accurate since it does not involve the calculation of infinite summations. Particular attention is given to the biologically important case of multiple final states.
|Number of pages||8|
|Journal||AIP Conference Proceedings|
|Publication status||Published - 1 Dec 2007|
|Event||3rd International Symposium on Computational Life Science, CompLife 2007 - Utrecht, Netherlands|
Duration: 4 Oct 2007 → 5 Oct 2007