On-the-path random walk sampling for efficient optimization of minimum free-energy path

Authors

  • Mengen Chen,

    1. Institute of Molecular Biophysics, Florida State University, Tallahassee, Florida 32306
    Search for more papers by this author
  • Wei Yang

    Corresponding author
    1. Institute of Molecular Biophysics, Florida State University, Tallahassee, Florida 32306
    2. Department of Chemistry and Biochemistry, Florida State University, Tallahassee, Florida 32306
    3. College of Life Sciences, Nankai University, Tianjin 300071, People's Republic of China
    • Institute of Molecular Biophysics, Florida State University, Tallahassee, Florida 32306
    Search for more papers by this author

Errata

This article is corrected by:

  1. Errata: Erratum: On-the-path random walk sampling for efficient optimization of minimum free energy path Volume 34, Issue 27, 2400, Article first published online: 14 August 2013

Abstract

A sampling method is proposed for the efficient acquisition of minimum free-energy path (MFEP). Here, the MFEP optimization is realized based on the sampling via single on-the-path random walk simulation. The present strategy naturally ensures the on-the-path structural continuity so that the MFEP optimization can be simplified and its efficiency can be improved as well. © 2009 Wiley Periodicals, Inc. J Comput Chem 2009

Ancillary