Literature DB >> 16821910

Graph transformation method for calculating waiting times in Markov chains.

Semen A Trygubenko1, David J Wales.   

Abstract

We describe an exact approach for calculating transition probabilities and waiting times in finite-state discrete-time Markov processes. All the states and the rules for transitions between them must be known in advance. We can then calculate averages over a given ensemble of paths for both additive and multiplicative properties in a nonstochastic and noniterative fashion. In particular, we can calculate the mean first-passage time between arbitrary groups of stationary points for discrete path sampling databases, and hence extract phenomenological rate constants. We present a number of examples to demonstrate the efficiency and robustness of this approach.

Year:  2006        PMID: 16821910     DOI: 10.1063/1.2198806

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  6 in total

1.  The energy landscape, folding pathways and the kinetics of a knotted protein.

Authors:  Michael C Prentiss; David J Wales; Peter G Wolynes
Journal:  PLoS Comput Biol       Date:  2010-07-01       Impact factor: 4.475

2.  Intrinsically disordered energy landscapes.

Authors:  Yassmine Chebaro; Andrew J Ballard; Debayan Chakraborty; David J Wales
Journal:  Sci Rep       Date:  2015-05-22       Impact factor: 4.379

3.  The Energy Landscape Perspective: Encoding Structure and Function for Biomolecules.

Authors:  Konstantin Röder; David J Wales
Journal:  Front Mol Biosci       Date:  2022-01-27

Review 4.  Dynamical Signatures of Multifunnel Energy Landscapes.

Authors:  David J Wales
Journal:  J Phys Chem Lett       Date:  2022-07-08       Impact factor: 6.888

5.  Exploring the free energy landscape: from dynamics to networks and back.

Authors:  Diego Prada-Gracia; Jesús Gómez-Gardeñes; Pablo Echenique; Fernando Falo
Journal:  PLoS Comput Biol       Date:  2009-06-26       Impact factor: 4.475

6.  Energy landscapes of planar colloidal clusters.

Authors:  John W R Morgan; David J Wales
Journal:  Nanoscale       Date:  2014-08-06       Impact factor: 7.790

  6 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.