Calculating mean first passage times from Markov models of proteins

Christian H. Jensen*, Dmitry Nerukh, Robert C. Glen

*Corresponding author for this work

Research output: Contribution to journalConference article

Abstract

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 [1] 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.

Original languageEnglish
Pages (from-to)150-157
Number of pages8
JournalAIP Conference Proceedings
Volume940
DOIs
Publication statusPublished - 1 Dec 2007
Event3rd International Symposium on Computational Life Science, CompLife 2007 - Utrecht, Netherlands
Duration: 4 Oct 20075 Oct 2007

Bibliographical note

Copyright © 2007, AIP Publishing. AIP Conference Proceedings 940, 150 (2007); doi: 10.1063/1.2793397

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